data_1cjg_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1cjg _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 N--CA 1.434 -2.021 0 N-CA-C 118.454 2.444 . . . . 0.0 118.454 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -128.85 166.52 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 129.471 3.109 . . . . 0.0 103.182 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.5 p -123.38 158.89 30.08 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.36 -1.463 . . . . 0.0 110.194 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -48.84 -32.73 9.27 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.249 1.82 . . . . 0.0 115.347 168.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -71.65 -40.67 69.53 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.734 1.614 . . . . 0.0 111.964 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -65.04 -42.93 93.88 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.55 1.54 . . . . 0.0 110.562 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.45 -44.7 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.705 -1.872 . . . . 0.0 113.048 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.37 77.92 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.291 1.436 . . . . 0.0 114.058 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.49 -42.42 92.1 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 126.296 1.838 . . . . 0.0 112.959 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -64.82 -52.14 58.36 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.008 -1.682 . . . . 0.0 112.989 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -72.61 -17.17 61.71 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.611 -1.931 . . . . 0.0 113.134 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.16 34.86 16.43 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 126.308 1.909 . . . . 0.0 113.151 177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.98 -170.0 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.798 1.639 . . . . 0.0 111.489 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 t -93.89 163.01 13.68 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.388 -1.445 . . . . 0.0 108.77 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -72.68 -24.87 61.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.329 -2.107 . . . . 0.0 112.557 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -78.17 -24.76 47.11 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 121.023 -1.048 . . . . 0.0 110.973 172.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -65.58 -43.49 89.58 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.435 -1.416 . . . . 0.0 110.087 172.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.18 -59.2 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.562 1.545 . . . . 0.0 113.828 172.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.6 p -59.33 -21.4 59.72 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -38.14 79.81 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.292 -1.505 . . . . 0.0 113.703 168.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.9 -44.76 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.799 -1.188 . . . . 0.0 110.386 -174.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 t -65.0 -62.07 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.891 2.476 . . . . 0.0 114.082 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -104.58 21.15 17.3 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.622 1.969 . . . . 0.0 115.913 -174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 60.01 58.83 2.59 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 118.465 2.765 . . . . 0.0 118.465 169.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.4 -171.39 3.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.647 -1.283 . . . . 0.0 110.846 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 m -108.34 -64.93 1.17 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -84.71 74.95 10.37 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -164.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -126.29 -100.22 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 124.714 1.206 . . . . 0.0 107.864 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 81.2 p 178.59 170.49 0.82 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.978 2.511 . . . . 0.0 107.607 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.78 -27.03 23.83 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.967 -1.083 . . . . 0.0 110.594 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.404 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -58.53 -58.7 7.37 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.326 2.25 . . . . 0.0 113.101 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -72.54 -29.25 63.41 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.743 1.217 . . . . 0.0 113.291 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -43.65 -54.48 4.99 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.23 -17.55 64.59 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.962 2.105 . . . . 0.0 116.508 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -81.61 -36.35 29.02 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.088 -1.632 . . . . 0.0 108.393 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.3 t -65.3 -40.98 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 111.27 171.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.24 -30.0 64.26 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.88 -34.5 73.64 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.331 1.452 . . . . 0.0 113.139 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -70.7 -42.83 70.12 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.5 mtt -50.77 -35.13 30.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.58 -29.87 52.26 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -78.78 -65.95 0.92 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.772 1.229 . . . . 0.0 112.981 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -21.64 59.61 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.201 1.4 . . . . 0.0 113.027 -173.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.96 71.16 0.11 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.936 2.894 . . . . 0.0 110.511 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -64.23 111.04 2.42 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.78 106.47 58.81 Favored Pre-proline 0 N--CA 1.43 -1.432 1 N-CA-C 99.632 -4.21 . . . . 0.0 99.632 168.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -66.97 162.3 38.66 Favored 'Trans proline' 0 N--CA 1.434 -2.016 0 C-N-CA 122.859 2.373 . . . . 0.0 117.316 156.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.6 125.05 35.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.491 1.516 . . . . 0.0 109.994 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -70.07 -23.21 63.04 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.786 -1.196 . . . . 0.0 111.639 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.19 -43.73 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 126.205 1.802 . . . . 0.0 112.462 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.61 92.75 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.523 2.329 . . . . 0.0 112.425 172.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -63.59 -26.2 68.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.436 1.894 . . . . 0.0 113.741 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -88.56 -46.87 8.73 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.047 -1.658 . . . . 0.0 112.702 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.6 -45.94 88.07 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.469 -1.395 . . . . 0.0 114.712 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.58 36.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.743 0 C-N-CA 127.322 2.391 . . . . 0.0 117.822 -175.657 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo . . . . . 0 N--CA 1.433 -2.039 0 N-CA-C 118.477 2.453 . . . . 0.0 118.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 24.7 t -128.38 166.06 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 103.087 -2.931 . . . . 0.0 103.087 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.7 p -125.15 161.12 27.54 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.618 -1.926 . . . . 0.0 109.925 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -49.07 -31.55 8.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 127.022 2.129 . . . . 0.0 116.096 169.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -75.85 -32.09 59.61 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.218 1.807 . . . . 0.0 112.394 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -72.05 -40.65 68.2 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.769 2.028 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 t -66.14 -45.08 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.944 2.098 . . . . 0.0 112.625 172.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.94 79.58 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.172 1.389 . . . . 0.0 114.555 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.04 -41.32 78.42 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.464 1.906 . . . . 0.0 114.195 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.7 -47.57 66.09 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.243 -1.535 . . . . 0.0 113.45 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -75.36 -18.92 59.85 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.304 -1.497 . . . . 0.0 113.473 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.32 32.39 19.94 Favored Glycine 0 N--CA 1.43 -1.704 0 O-C-N 120.327 -1.483 . . . . 0.0 112.875 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -123.57 -174.51 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.992 1.317 . . . . 0.0 111.697 -176.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.4 t -90.78 164.18 14.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.514 -1.366 . . . . 0.0 109.967 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -74.12 -23.4 59.3 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.595 -2.565 . . . . 0.0 113.371 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -78.71 -21.68 47.74 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.139 0.976 . . . . 0.0 111.559 172.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -67.82 -46.88 70.61 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.798 -1.189 . . . . 0.0 110.403 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.4 ' HA ' HG13 ' B' ' 38' ' ' VAL . 69.9 t -56.13 -58.5 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 126.156 1.782 . . . . 0.0 113.707 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 81.1 p -62.27 -19.4 63.19 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -36.71 82.54 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.338 -0.851 . . . . 0.0 112.943 167.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.25 -47.24 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 123.282 1.515 . . . . 0.0 109.981 -174.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.25 -65.54 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 128.717 2.807 . . . . 0.0 114.241 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -104.32 25.85 9.62 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -173.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 55.48 66.12 1.3 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 170.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.14 -172.8 2.43 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.71 -1.244 . . . . 0.0 110.825 175.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.3 m -102.17 -73.37 0.66 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -80.07 79.53 6.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.065 2.987 . . . . 0.0 119.065 -162.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.21 -96.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 96.0 p 175.27 167.8 0.32 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 127.27 2.228 . . . . 0.0 107.053 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.73 -26.89 27.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.483 -1.385 . . . . 0.0 111.049 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -57.65 -60.58 3.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.191 2.596 . . . . 0.0 112.616 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 24.5 m -72.05 -28.92 63.66 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.679 -1.263 . . . . 0.0 114.169 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 42.1 ttp85 -44.02 -53.53 6.21 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.532 1.933 . . . . 0.0 115.134 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.52 -19.1 64.5 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.1 -35.24 25.79 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.024 -1.673 . . . . 0.0 108.953 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' B' ' 20' ' ' VAL . 14.1 t -65.86 -40.06 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.493 -1.379 . . . . 0.0 112.555 170.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -57.81 -26.97 62.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.2 -40.15 68.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.661 1.184 . . . . 0.0 111.967 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -65.5 -44.85 85.76 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.328 -2.107 . . . . 0.0 114.61 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 44.9 mtt -51.11 -29.95 14.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.019 2.127 . . . . 0.0 116.104 171.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.09 -37.73 23.43 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.459 1.504 . . . . 0.0 112.698 -173.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.2 -63.44 1.11 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.479 1.133 . . . . 0.0 112.943 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -22.35 50.21 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.299 1.047 . . . . 0.0 112.531 -173.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.56 71.21 0.14 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.501 1.921 . . . . 0.0 109.773 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.46 115.03 4.26 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.56 108.05 60.62 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 100.757 -3.794 . . . . 0.0 100.757 167.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -68.38 158.65 56.68 Favored 'Trans proline' 0 C--N 1.3 -2.008 0 C-N-CA 123.287 2.658 . . . . 0.0 117.666 156.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -89.12 120.72 30.76 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 113.512 -1.676 . . . . 0.0 108.301 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -66.64 -24.7 66.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.602 -1.311 . . . . 0.0 112.267 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.54 -45.47 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.725 1.61 . . . . 0.0 112.045 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.13 80.04 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.477 2.311 . . . . 0.0 112.712 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -69.83 -23.89 63.37 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.704 -1.873 . . . . 0.0 113.265 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -91.6 -43.04 9.87 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.872 -2.393 . . . . 0.0 114.003 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.1 -52.11 65.2 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.411 -1.431 . . . . 0.0 113.048 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.87 -17.25 51.27 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.73 0 C-N-CA 127.899 2.666 . . . . 0.0 118.762 -176.705 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo . . . . . 0 N--CA 1.434 -1.975 0 N-CA-C 120.864 3.371 . . . . 0.0 120.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.2 t -128.52 167.31 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.9 p -137.27 162.78 32.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.826 -1.796 . . . . 0.0 107.572 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.74 -30.03 42.4 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 171.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -69.09 -39.27 79.11 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 127.392 2.277 . . . . 0.0 112.873 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -69.56 -38.37 77.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.986 1.314 . . . . 0.0 110.89 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.03 -45.31 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.538 2.335 . . . . 0.0 111.198 172.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.55 -55.04 39.92 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.936 1.694 . . . . 0.0 114.368 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.38 -36.97 76.77 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.664 1.586 . . . . 0.0 114.031 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -66.49 -49.78 65.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.123 0.969 . . . . 0.0 112.531 173.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -74.05 -27.1 60.76 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.987 -1.696 . . . . 0.0 113.008 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.39 29.05 6.48 Favored Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 125.934 1.73 . . . . 0.0 114.124 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.07 -170.53 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 125.134 1.374 . . . . 0.0 111.467 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 t -92.89 160.51 14.88 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.793 1.282 . . . . 0.0 108.737 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -66.21 -32.66 74.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.493 -2.005 . . . . 0.0 113.104 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -76.5 -18.23 58.85 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 121.087 -1.008 . . . . 0.0 112.298 173.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.2 m -67.73 -45.58 74.59 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.369 -1.457 . . . . 0.0 110.369 173.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.27 -58.16 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 C-N-CA 125.666 1.586 . . . . 0.0 115.25 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.8 p -58.14 -31.22 66.99 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.7 -17.08 64.45 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -90.56 -55.77 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.854 -1.778 . . . . 0.0 108.113 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -49.63 -50.93 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 129.368 3.067 . . . . 0.0 114.831 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -98.84 12.19 36.48 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.859 1.264 . . . . 0.0 112.44 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 56.09 74.7 0.37 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 127.162 2.185 . . . . 0.0 116.318 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.92 175.27 5.67 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.723 1.209 . . . . 0.0 110.574 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 m -72.09 -77.38 0.1 Allowed 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -73.81 63.05 0.86 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 119.212 3.042 . . . . 0.0 119.212 -168.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 t -131.39 110.63 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.677 -1.265 . . . . 0.0 107.594 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -63.06 145.43 55.46 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.026 1.33 . . . . 0.0 113.07 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.84 -42.8 37.52 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 126.438 1.895 . . . . 0.0 115.995 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -54.83 -36.9 65.49 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.457 1.903 . . . . 0.0 113.979 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 m -75.69 -49.67 17.64 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.474 -1.391 . . . . 0.0 110.788 175.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -53.71 -44.63 69.97 Favored 'General case' 0 CA--C 1.489 -1.381 0 O-C-N 120.799 -1.188 . . . . 0.0 113.743 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -58.13 -22.29 50.31 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -92.1 -39.16 11.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.033 1.333 . . . . 0.0 109.162 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 t -67.93 -41.26 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 119.731 -1.856 . . . . 0.0 113.002 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -65.54 -17.71 64.77 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.62 -1.3 . . . . 0.0 114.085 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.82 -34.37 45.34 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 124.592 1.157 . . . . 0.0 110.7 170.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -67.43 -45.05 77.2 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.06 -1.65 . . . . 0.0 113.69 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.4 mtt -53.55 -30.64 42.9 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.188 1.395 . . . . 0.0 113.961 168.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.37 -28.67 26.82 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -78.28 -55.87 4.91 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 124.417 2.056 . . . . 0.0 110.031 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -79.17 -12.99 59.99 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 113.456 -1.702 . . . . 0.0 114.972 -174.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.417 0.6 OUTLIER 56.45 47.81 18.1 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.444 2.697 . . . . 0.0 114.869 -177.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -37.16 114.52 0.33 Allowed 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.432 2.293 . . . . 0.0 116.395 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.75 106.95 30.76 Favored Pre-proline 0 N--CA 1.43 -1.453 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -46.65 132.51 16.58 Favored 'Trans proline' 0 N--CA 1.434 -2.012 0 N-CA-C 120.201 3.116 . . . . 0.0 120.201 157.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -88.05 103.24 15.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -72.45 -13.07 61.35 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.449 -2.032 . . . . 0.0 114.68 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 t -75.66 -42.15 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.883 2.073 . . . . 0.0 110.332 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.35 -30.79 71.43 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.216 2.206 . . . . 0.0 112.942 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -79.6 -16.31 56.09 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.117 -1.614 . . . . 0.0 112.997 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -89.79 -51.17 5.64 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.612 -1.305 . . . . 0.0 111.606 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tp -61.31 -55.0 36.75 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 124.909 1.284 . . . . 0.0 113.788 -175.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.83 -5.73 45.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.732 0 C-N-CA 128.288 2.852 . . . . 0.0 119.738 -175.533 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo . . . . . 0 N--CA 1.434 -2.006 0 N-CA-C 117.477 2.068 . . . . 0.0 117.477 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 t -137.0 165.97 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 103.055 -2.943 . . . . 0.0 103.055 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 48.5 p -136.78 163.65 30.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.148 -1.595 . . . . 0.0 107.513 174.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.98 -28.24 50.16 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 170.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -69.13 -37.61 78.41 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 126.979 2.112 . . . . 0.0 113.427 174.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -70.13 -42.28 72.81 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.141 1.776 . . . . 0.0 110.019 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.04 -47.27 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.032 2.133 . . . . 0.0 110.529 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -54.29 44.16 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.576 1.55 . . . . 0.0 114.119 175.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.9 -35.41 79.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -63.8 -50.55 68.5 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.813 0.845 . . . . 0.0 112.969 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' B' ' 41' ' ' ALA . . . -76.48 -29.88 57.05 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 121.314 -0.866 . . . . 0.0 112.473 -174.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.8 43.41 2.66 Favored Glycine 0 N--CA 1.43 -1.735 0 C-N-CA 124.892 1.234 . . . . 0.0 112.521 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.43 -164.4 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 125.463 1.505 . . . . 0.0 108.873 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -102.96 168.92 8.89 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.403 -1.435 . . . . 0.0 108.769 173.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -70.8 -34.61 71.94 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 118.982 -2.324 . . . . 0.0 112.481 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.39 -20.62 60.7 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 123.379 0.672 . . . . 0.0 112.271 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -66.31 -49.59 66.52 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.287 -1.508 . . . . 0.0 110.675 174.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -52.27 -60.07 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.4 p -59.28 -29.57 67.68 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.13 -16.49 64.03 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.752 -1.217 . . . . 0.0 114.049 172.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -89.55 -56.35 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.989 -1.694 . . . . 0.0 108.263 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -49.28 -53.52 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 129.159 2.984 . . . . 0.0 115.666 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -92.43 -1.68 56.83 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.237 -1.54 . . . . 0.0 111.899 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 67.24 76.69 0.28 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 127.616 2.366 . . . . 0.0 115.891 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.0 -175.62 3.2 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.352 1.461 . . . . 0.0 111.04 173.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.8 m -82.68 -72.93 0.42 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 -173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -76.77 65.28 2.48 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -168.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -134.61 109.88 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 170.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.0 t -63.0 142.75 58.26 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.808 1.243 . . . . 0.0 112.075 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.16 -44.88 8.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.852 2.461 . . . . 0.0 116.538 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -56.4 -36.6 69.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 126.979 2.112 . . . . 0.0 114.189 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.6 m -75.2 -49.56 19.04 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.653 -1.279 . . . . 0.0 110.325 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 -53.01 -44.89 67.61 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.484 -1.385 . . . . 0.0 113.824 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -57.09 -23.9 50.17 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -91.88 -36.89 13.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.86 1.264 . . . . 0.0 109.229 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.18 -44.13 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 O-C-N 120.588 -1.32 . . . . 0.0 111.648 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.31 -26.48 68.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 112.28 176.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.42 -32.7 66.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.344 -1.473 . . . . 0.0 112.09 170.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.498 ' HB3' ' HB1' ' B' ' 13' ' ' ALA . . . -69.99 -40.81 75.1 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.441 -1.412 . . . . 0.0 114.067 177.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 32.0 mtt -55.09 -35.27 64.4 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.18 1.392 . . . . 0.0 113.361 168.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.12 -29.38 38.93 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -171.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -78.82 -52.39 8.41 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-O 124.308 2.004 . . . . 0.0 111.022 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -80.57 -19.0 46.61 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 113.579 -1.646 . . . . 0.0 113.903 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.519 0.5 OUTLIER 61.02 57.91 2.42 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.255 2.222 . . . . 0.0 113.394 -175.251 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -48.31 115.24 1.14 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.088 2.155 . . . . 0.0 116.078 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mp -93.88 114.4 63.01 Favored Pre-proline 0 N--CA 1.43 -1.437 0 N-CA-C 103.716 -2.698 . . . . 0.0 103.716 173.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -55.85 132.96 55.16 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 C-N-CA 123.542 2.828 . . . . 0.0 116.607 154.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -91.0 105.11 17.6 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 170.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -71.95 -18.6 62.0 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.357 -2.089 . . . . 0.0 114.118 -172.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 19.4 t -68.66 -40.39 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 126.503 1.921 . . . . 0.0 111.245 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.19 77.83 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.153 2.181 . . . . 0.0 113.165 172.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.01 -20.62 60.27 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.854 -1.779 . . . . 0.0 113.032 174.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -86.04 -54.36 4.53 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.62 -1.3 . . . . 0.0 111.95 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.65 -49.57 77.04 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.72 59.79 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.728 0 C-N-CA 128.153 2.787 . . . . 0.0 118.881 -170.788 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 N--CA 1.434 -2.011 0 N-CA-C 118.405 2.425 . . . . 0.0 118.405 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.6 t -137.33 165.87 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 N-CA-C 101.311 -3.589 . . . . 0.0 101.311 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.8 p -130.2 161.87 30.18 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 119.724 1.147 . . . . 0.0 108.833 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.421 HD22 ' H ' ' A' ' 7' ' ' TYR . 1.1 pt? -48.57 -35.6 13.78 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.395 1.878 . . . . 0.0 115.12 171.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.421 ' H ' HD22 ' A' ' 6' ' ' LEU . 72.9 m-85 -67.58 -39.75 84.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.325 2.25 . . . . 0.0 112.755 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -70.85 -38.14 73.16 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.699 -1.25 . . . . 0.0 111.712 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.16 -45.61 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 C-N-CA 126.468 1.907 . . . . 0.0 110.825 172.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -55.31 35.1 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.633 1.573 . . . . 0.0 114.82 174.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.98 -28.9 69.83 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -69.45 -51.27 37.78 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.09 -1.006 . . . . 0.0 112.076 172.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -73.71 -18.91 60.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.319 -1.488 . . . . 0.0 113.142 -177.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.06 44.81 6.16 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 125.861 1.696 . . . . 0.0 111.754 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.61 178.44 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 125.191 1.396 . . . . 0.0 110.824 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.2 t -80.68 158.79 25.48 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.699 -1.251 . . . . 0.0 110.619 173.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -67.46 -31.34 71.44 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.936 -1.728 . . . . 0.0 113.985 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -77.28 -15.79 59.28 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.005 -1.684 . . . . 0.0 112.086 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.5 m -68.85 -41.53 78.34 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.441 -2.037 . . . . 0.0 110.002 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.81 -56.16 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.184 1.393 . . . . 0.0 113.91 174.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -61.42 -27.49 68.58 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -72.29 -11.51 60.74 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 125.617 1.567 . . . . 0.0 113.781 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -99.84 -49.19 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 119.415 -2.053 . . . . 0.0 109.696 170.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.98 -57.49 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 C-N-CA 127.869 2.468 . . . . 0.0 114.109 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -108.95 -58.5 2.01 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.767 -1.208 . . . . 0.0 112.632 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -93.96 60.21 2.84 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 122.793 1.282 . . . . 0.0 113.394 -172.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.14 90.29 0.87 Allowed 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 118.797 2.888 . . . . 0.0 118.797 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.0 p -162.4 145.51 11.42 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.932 1.293 . . . . 0.0 108.322 170.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 58.29 41.31 23.51 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.097 1.359 . . . . 0.0 113.025 -170.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.56 131.35 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 121.042 -1.036 . . . . 0.0 111.514 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -84.75 119.01 24.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.496 -1.378 . . . . 0.0 109.468 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.78 -38.91 83.16 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.281 1.832 . . . . 0.0 115.226 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -63.78 -51.33 65.28 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.959 1.704 . . . . 0.0 111.221 176.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -61.92 -45.79 92.15 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.106 2.162 . . . . 0.0 115.017 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -42.79 -54.51 4.08 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.12 -12.02 60.16 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -88.03 -40.67 13.66 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.824 -1.797 . . . . 0.0 108.946 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.1 t -75.49 -37.57 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.45 -1.406 . . . . 0.0 112.013 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -63.8 -23.21 67.27 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.135 -1.603 . . . . 0.0 112.72 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.96 62.47 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.689 -1.257 . . . . 0.0 112.456 171.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -67.19 -42.88 83.47 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.936 -1.727 . . . . 0.0 114.555 176.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.2 mtt -50.27 -33.45 19.87 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.992 2.117 . . . . 0.0 114.755 168.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.35 -39.09 59.7 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.68 -59.45 2.71 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -22.19 42.63 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.778 1.231 . . . . 0.0 113.569 -174.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 73.71 66.73 0.1 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.494 2.317 . . . . 0.0 112.03 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.66 126.3 26.1 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.8 mm -100.62 113.5 65.59 Favored Pre-proline 0 N--CA 1.43 -1.452 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -54.47 113.17 1.24 Allowed 'Trans proline' 0 N--CA 1.434 -2.007 0 CA-C-N 123.741 2.372 . . . . 0.0 114.569 149.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -84.62 125.7 32.7 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -76.97 -39.12 51.69 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.641 -1.912 . . . . 0.0 112.568 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.4 t -56.78 -43.53 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.963 2.505 . . . . 0.0 112.231 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.53 -28.59 68.54 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.472 2.709 . . . . 0.0 114.167 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -89.4 -17.37 28.93 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.63 -1.918 . . . . 0.0 110.67 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -88.16 -45.76 9.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 tp -65.33 -42.37 93.02 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 121.263 1.847 . . . . 0.0 114.359 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.05 -79.78 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.469 2.708 . . . . 0.0 108.422 169.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.696 1 N-CA-C 124.167 4.427 . . . . 0.0 124.167 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo . . . . . 0 N--CA 1.434 -1.982 0 N-CA-C 118.638 2.515 . . . . 0.0 118.638 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 29.9 t -137.96 163.01 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 N-CA-C 101.999 -3.334 . . . . 0.0 101.999 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.9 p -127.68 162.7 25.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 120.448 1.476 . . . . 0.0 108.936 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.419 HD22 ' H ' ' B' ' 7' ' ' TYR . 0.9 OUTLIER -51.47 -33.52 31.56 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.065 1.746 . . . . 0.0 115.25 172.496 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.419 ' H ' HD22 ' B' ' 6' ' ' LEU . 71.0 m-85 -68.74 -39.38 80.38 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 127.119 2.168 . . . . 0.0 112.636 176.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.53 -38.17 77.41 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.575 1.55 . . . . 0.0 111.835 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.95 -42.73 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.195 2.198 . . . . 0.0 110.599 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.88 71.99 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.87 -33.56 76.12 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.085 -1.634 . . . . 0.0 114.479 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -67.44 -47.2 70.87 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.075 -2.266 . . . . 0.0 113.324 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -76.72 -19.74 57.34 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.44 -2.038 . . . . 0.0 113.061 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.28 35.23 7.61 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 125.464 1.507 . . . . 0.0 112.092 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m -125.09 179.95 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.262 1.425 . . . . 0.0 110.956 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -84.24 160.34 20.8 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.831 1.252 . . . . 0.0 110.316 173.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -70.02 -33.14 71.62 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.479 -2.013 . . . . 0.0 114.614 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -73.55 -19.02 61.01 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.645 -1.284 . . . . 0.0 112.208 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.2 m -66.32 -42.87 87.58 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.064 -1.647 . . . . 0.0 110.772 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.14 -54.65 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.255 1.422 . . . . 0.0 113.944 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 77.3 p -62.93 -24.8 68.03 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.277 1.954 . . . . 0.0 116.277 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -77.13 -6.24 52.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.861 1.265 . . . . 0.0 113.679 173.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 47.2 t -101.08 -49.86 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 119.609 -1.932 . . . . 0.0 108.332 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.6 -60.49 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 127.775 2.43 . . . . 0.0 113.971 -174.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -106.08 -59.34 1.79 Allowed 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 121.078 -1.013 . . . . 0.0 112.766 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -89.94 56.73 3.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.65 -1.281 . . . . 0.0 113.405 -172.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.74 87.05 0.34 Allowed 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 118.581 2.808 . . . . 0.0 118.581 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.0 p -159.85 144.7 15.07 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.305 1.442 . . . . 0.0 108.426 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 58.63 39.15 24.92 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.616 1.566 . . . . 0.0 112.578 -169.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -75.98 131.1 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 O-C-N 120.302 -1.499 . . . . 0.0 112.821 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 27.0 t -82.66 115.81 21.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.072 -1.643 . . . . 0.0 109.328 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -34.81 70.43 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 117.096 2.258 . . . . 0.0 117.096 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -68.68 -48.01 65.02 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.819 1.647 . . . . 0.0 111.6 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 11.8 m -65.08 -44.05 90.2 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.956 1.703 . . . . 0.0 114.145 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -42.24 -54.68 3.6 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.299 1.962 . . . . 0.0 116.299 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.46 -16.46 63.66 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -84.23 -43.3 15.02 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.84 1.305 . . . . 0.0 108.787 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 t -70.79 -40.5 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 120.63 -1.294 . . . . 0.0 112.619 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -65.15 -20.31 66.39 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 121.224 -0.923 . . . . 0.0 112.921 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.68 -30.22 59.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.528 -1.358 . . . . 0.0 112.91 170.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -70.48 -42.67 71.07 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.394 -2.066 . . . . 0.0 114.361 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 48.6 mtt -51.67 -32.72 30.75 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.402 1.881 . . . . 0.0 113.425 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.05 -37.66 46.29 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -73.41 -57.88 3.7 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 123.09 1.424 . . . . 0.0 112.262 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.91 -21.72 59.05 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.073 1.749 . . . . 0.0 115.708 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 69.44 66.27 0.26 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 127.042 2.137 . . . . 0.0 110.322 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -57.75 126.31 26.84 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.6 mm -99.99 113.61 65.28 Favored Pre-proline 0 N--CA 1.431 -1.406 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 174.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -53.07 111.57 0.7 Allowed 'Trans proline' 0 N--CA 1.434 -1.987 0 CA-C-N 124.417 2.613 . . . . 0.0 115.068 150.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -83.6 126.55 32.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.696 1.236 . . . . 0.0 107.728 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -78.2 -36.78 46.89 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.712 -1.242 . . . . 0.0 112.951 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.9 t -61.17 -40.54 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 127.018 2.127 . . . . 0.0 111.773 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.53 -26.48 68.58 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.705 2.402 . . . . 0.0 115.317 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -90.31 -18.66 25.18 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 119.595 -1.941 . . . . 0.0 110.487 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -88.68 -43.94 10.95 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.137 -1.602 . . . . 0.0 115.012 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.53 -42.39 82.81 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.52 -1.987 . . . . 0.0 113.623 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.99 -73.78 0.14 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.039 2.136 . . . . 0.0 109.91 169.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.684 1 N-CA-C 124.488 4.555 . . . . 0.0 124.488 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo . . . . . 0 N--CA 1.433 -2.034 0 N-CA-C 116.298 1.615 . . . . 0.0 116.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -120.08 169.75 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 127.595 2.358 . . . . 0.0 105.473 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 p -133.63 163.84 28.53 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 119.272 -2.142 . . . . 0.0 108.417 175.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.458 HD22 ' H ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -49.02 -34.57 13.57 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.314 1.845 . . . . 0.0 115.524 169.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.458 ' H ' HD22 ' A' ' 6' ' ' LEU . 82.8 m-85 -68.43 -38.24 81.01 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.211 1.804 . . . . 0.0 112.972 176.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -71.27 -38.09 71.86 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.392 -1.443 . . . . 0.0 110.66 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 t -65.86 -45.68 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.034 2.134 . . . . 0.0 110.709 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.42 -54.48 45.1 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.4 1.88 . . . . 0.0 114.583 175.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -63.56 -35.29 80.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.94 -44.75 79.83 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.713 -1.242 . . . . 0.0 113.137 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -76.74 -23.64 53.0 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.988 -1.695 . . . . 0.0 111.27 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.03 39.08 6.21 Favored Glycine 0 N--CA 1.431 -1.644 0 C-N-CA 127.776 2.607 . . . . 0.0 112.477 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.23 -178.07 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.094 1.358 . . . . 0.0 110.04 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 p -87.74 157.44 19.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.764 1.268 . . . . 0.0 110.804 172.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.271 13.9 p90 -59.6 -42.71 93.2 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 -175.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -75.9 -10.75 59.68 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.401 -2.062 . . . . 0.0 113.792 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.5 m -68.34 -36.34 79.12 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.863 -1.148 . . . . 0.0 109.939 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.01 -52.74 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 124.571 1.149 . . . . 0.0 113.63 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -57.61 -23.97 53.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 117.516 2.413 . . . . 0.0 117.516 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -16.88 61.57 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.929 -1.107 . . . . 0.0 112.956 173.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.3 t -93.65 -43.67 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-O 122.968 1.366 . . . . 0.0 109.416 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.2 -59.43 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.421 2.288 . . . . 0.0 114.37 -176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -110.94 -59.18 2.0 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.783 -1.198 . . . . 0.0 114.132 -174.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -97.88 63.9 1.69 Allowed 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.98 1.371 . . . . 0.0 112.312 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.16 108.94 3.33 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -163.59 -72.31 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.632 -1.293 . . . . 0.0 107.759 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -80.97 58.33 3.39 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.121 -1.612 . . . . 0.0 112.472 172.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -91.0 125.88 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -70.22 -3.7 18.23 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.24 -50.95 0.65 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -66.42 -55.14 17.17 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 128.353 2.661 . . . . 0.0 109.962 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -60.15 -33.39 72.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.106 1.762 . . . . 0.0 113.964 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -49.67 -46.79 50.18 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.968 1.707 . . . . 0.0 115.06 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.65 -22.13 61.47 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -88.27 -40.24 13.79 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.181 0.991 . . . . 0.0 109.14 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.4 t -70.46 -44.53 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 121.352 -0.842 . . . . 0.0 111.917 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -63.01 -27.11 69.19 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 121.258 -0.901 . . . . 0.0 112.687 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.68 62.64 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.544 1.138 . . . . 0.0 112.176 170.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -70.03 -43.52 71.12 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.917 -1.74 . . . . 0.0 113.691 177.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.2 mtt -57.42 -26.68 61.52 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 125.551 1.541 . . . . 0.0 113.949 169.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -41.05 23.16 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.5 1.12 . . . . 0.0 112.767 -174.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -72.7 -61.3 1.85 Allowed 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.351 1.548 . . . . 0.0 112.243 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.62 -19.91 62.05 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.822 1.649 . . . . 0.0 113.794 -175.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 66.65 63.12 0.51 Allowed 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.547 1.939 . . . . 0.0 109.937 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -55.0 116.73 2.92 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.91 103.96 22.53 Favored Pre-proline 0 N--CA 1.43 -1.47 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 170.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.04 156.93 64.16 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 N-CA-C 119.382 2.801 . . . . 0.0 119.382 158.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -101.18 131.0 47.37 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.605 2.362 . . . . 0.0 109.211 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -78.7 -35.52 44.86 Favored 'General case' 0 N--CA 1.428 -1.527 0 O-C-N 120.334 -1.478 . . . . 0.0 111.19 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.01 -45.09 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 129.176 2.991 . . . . 0.0 114.754 178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.42 97.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.643 1.977 . . . . 0.0 112.733 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -68.5 -24.46 64.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.164 1.785 . . . . 0.0 112.11 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -85.99 -49.57 7.73 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.658 -1.276 . . . . 0.0 112.281 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.43 -50.52 69.45 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 124.853 1.261 . . . . 0.0 114.04 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.24 -14.11 60.14 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 116.875 2.176 . . . . 0.0 116.875 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.76 0 C-N-CA 126.318 1.914 . . . . 0.0 116.666 -176.692 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo . . . . . 0 N--CA 1.433 -2.071 0 N-CA-C 116.243 1.593 . . . . 0.0 116.243 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.33 162.54 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 104.745 -2.317 . . . . 0.0 104.745 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -126.84 162.2 26.46 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.047 -1.658 . . . . 0.0 108.564 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -33.83 10.48 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.305 1.842 . . . . 0.0 115.374 171.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -69.69 -38.53 77.02 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 126.319 1.848 . . . . 0.0 112.309 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -37.92 75.73 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.863 -1.148 . . . . 0.0 111.001 -177.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 t -65.98 -45.32 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 127.271 2.229 . . . . 0.0 110.312 171.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.67 -54.71 42.92 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.91 1.684 . . . . 0.0 115.473 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.8 -36.34 82.81 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.145 1.378 . . . . 0.0 114.647 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -65.14 -47.34 77.43 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.907 -1.121 . . . . 0.0 112.803 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' B' ' 41' ' ' ALA . . . -75.96 -27.43 57.51 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.708 -1.87 . . . . 0.0 111.636 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.25 38.17 4.37 Favored Glycine 0 N--CA 1.429 -1.774 0 C-N-CA 125.749 1.643 . . . . 0.0 113.224 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -125.11 -178.27 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.011 1.724 . . . . 0.0 111.661 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 p -86.39 157.02 19.95 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.237 1.415 . . . . 0.0 111.149 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . 0.265 16.8 p90 -59.37 -42.31 91.3 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -175.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.51 -12.33 60.21 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.493 -2.005 . . . . 0.0 114.236 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 44.4 m -67.13 -34.51 77.75 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.569 -1.332 . . . . 0.0 110.383 174.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.68 -54.51 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 125.372 1.469 . . . . 0.0 113.033 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m -56.62 -27.16 57.64 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -19.55 65.01 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 124.884 1.274 . . . . 0.0 113.64 173.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.27 -46.01 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-O 123.062 1.41 . . . . 0.0 109.511 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.92 -58.16 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 127.719 2.408 . . . . 0.0 113.832 -174.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -108.51 -66.01 1.08 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.566 -1.334 . . . . 0.0 111.878 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -94.47 64.46 3.09 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.52 -1.363 . . . . 0.0 113.347 -166.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.96 107.3 1.45 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -160.7 -77.07 0.06 Allowed 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.55 -1.344 . . . . 0.0 108.215 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -79.34 59.12 2.77 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.744 1.259 . . . . 0.0 112.817 171.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -90.07 128.14 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 172.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.1 t -72.5 -6.41 43.65 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -176.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.55 -49.75 0.69 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.805 2.042 . . . . 0.0 115.389 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.69 -53.47 40.56 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.011 2.525 . . . . 0.0 110.353 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -61.87 -34.84 76.73 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.029 1.732 . . . . 0.0 114.789 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -48.22 -46.13 34.86 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.46 -23.94 64.85 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -87.09 -37.22 17.61 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.128 1.371 . . . . 0.0 109.111 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.45 -45.61 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 121.045 -1.034 . . . . 0.0 111.415 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -62.71 -28.67 70.11 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 121.269 -0.894 . . . . 0.0 113.089 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.17 -31.6 66.07 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 123.784 0.834 . . . . 0.0 112.334 170.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.479 ' HB3' ' HB1' ' B' ' 13' ' ' ALA . . . -68.54 -44.03 75.42 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.289 -2.132 . . . . 0.0 112.765 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 34.5 mtt -55.28 -29.04 57.37 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.757 1.623 . . . . 0.0 114.809 168.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.07 -32.24 30.42 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 124.331 1.052 . . . . 0.0 113.604 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -79.47 -63.01 1.51 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.909 1.338 . . . . 0.0 114.176 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -16.73 59.27 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.307 -173.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.35 69.64 0.26 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 128.635 2.774 . . . . 0.0 109.664 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -58.12 113.19 1.8 Allowed 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.6 103.94 21.55 Favored Pre-proline 0 N--CA 1.429 -1.499 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -65.75 161.78 37.51 Favored 'Trans proline' 0 C--N 1.3 -2.022 0 N-CA-C 120.91 3.388 . . . . 0.0 120.91 158.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -105.12 132.69 51.03 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 126.709 2.004 . . . . 0.0 107.801 173.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -81.52 -33.49 31.8 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.272 -1.517 . . . . 0.0 110.746 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.6 t -55.1 -43.96 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.772 2.829 . . . . 0.0 113.732 176.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.9 -27.75 68.42 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.897 2.079 . . . . 0.0 113.999 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -81.33 -23.18 37.97 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.3 -2.125 . . . . 0.0 110.32 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -85.9 -49.31 7.97 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.874 -1.766 . . . . 0.0 112.854 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.52 -52.29 65.11 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.35 -11.68 59.94 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 C-N-CA 125.618 1.58 . . . . 0.0 113.937 -179.003 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo . . . . . 0 N--CA 1.433 -2.053 0 N-CA-C 108.176 -1.509 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.7 t -118.6 162.53 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 N-CA-C 102.598 -3.112 . . . . 0.0 102.598 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 p -120.29 160.48 22.91 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 121.611 2.005 . . . . 0.0 108.923 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -27.81 21.27 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 173.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.59 -46.51 63.31 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 128.201 2.601 . . . . 0.0 110.613 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.0 -29.03 69.34 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.087 -1.633 . . . . 0.0 113.977 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -71.29 -48.6 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 128.647 2.779 . . . . 0.0 110.574 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.51 -54.82 41.29 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -57.57 -36.04 71.16 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.249 1.82 . . . . 0.0 112.756 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -69.49 -45.46 68.88 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -76.63 -16.65 59.51 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.254 -1.529 . . . . 0.0 110.948 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.38 21.92 28.25 Favored Glycine 0 N--CA 1.43 -1.703 0 C-N-CA 125.467 1.508 . . . . 0.0 113.975 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -115.14 -174.18 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 125.114 1.366 . . . . 0.0 111.266 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -92.44 155.53 17.8 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 120.916 -1.115 . . . . 0.0 109.871 173.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -61.58 -30.01 70.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.143 -2.223 . . . . 0.0 115.592 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -72.14 -15.88 61.98 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.834 -1.166 . . . . 0.0 112.164 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -82.05 -44.56 16.45 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.065 -1.647 . . . . 0.0 110.239 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.73 -49.27 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.9 p -54.46 -30.17 52.05 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.679 2.474 . . . . 0.0 117.679 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -65.1 -24.63 67.49 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.484 1.514 . . . . 0.0 113.027 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.41 -46.88 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-O 122.788 1.28 . . . . 0.0 109.313 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -55.75 -59.04 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 128.062 2.545 . . . . 0.0 115.48 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.21 -21.01 0.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -86.82 55.84 3.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.597 -1.939 . . . . 0.0 113.16 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.71 93.93 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.667 2.387 . . . . 0.0 116.82 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 t -142.62 -96.86 0.12 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.46 1.104 . . . . 0.0 108.716 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -89.25 70.2 8.23 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.323 -1.486 . . . . 0.0 111.321 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.78 118.03 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.709 1.204 . . . . 0.0 108.696 173.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 t -71.88 124.34 24.64 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.888 -1.757 . . . . 0.0 110.014 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.45 71.47 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 121.04 -1.037 . . . . 0.0 113.732 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -65.33 -61.26 2.22 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.803 2.041 . . . . 0.0 110.932 173.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -67.32 -35.36 79.28 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.487 1.915 . . . . 0.0 115.797 -176.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -43.37 -52.53 5.84 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.4 -10.99 38.23 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -93.87 -40.73 10.0 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.43 -1.419 . . . . 0.0 109.236 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.2 t -70.49 -42.47 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.136 -1.602 . . . . 0.0 111.649 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -53.73 -32.19 51.1 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.41 -37.71 63.27 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 124.24 1.016 . . . . 0.0 112.525 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -62.4 -48.57 79.15 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.452 -2.03 . . . . 0.0 114.641 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 ptp -63.54 -14.51 51.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.876 -1.765 . . . . 0.0 114.724 171.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.97 -41.69 13.71 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.925 1.29 . . . . 0.0 113.811 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.5 -45.97 67.69 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.364 -1.46 . . . . 0.0 112.261 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.9 mt -85.31 -21.05 29.12 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.653 1.581 . . . . 0.0 113.945 -175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.495 0.6 OUTLIER 65.06 62.39 0.72 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 127.609 2.363 . . . . 0.0 113.632 -173.35 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -58.49 123.01 14.75 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.972 1.841 . . . . 0.0 115.972 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -103.74 104.83 44.74 Favored Pre-proline 0 N--CA 1.43 -1.429 0 N-CA-C 104.745 -2.316 . . . . 0.0 104.745 172.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -73.1 156.08 51.89 Favored 'Trans proline' 0 C--N 1.3 -2.006 0 CA-C-N 125.332 2.94 . . . . 0.0 115.345 151.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -127.21 142.65 51.43 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 122.641 1.21 . . . . 0.0 113.346 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -80.51 40.12 0.49 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.835 -1.791 . . . . 0.0 114.596 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.32 -56.57 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 127.194 2.198 . . . . 0.0 105.326 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.22 70.82 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 130.642 3.577 . . . . 0.0 113.198 172.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -80.46 -1.74 42.88 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -111.41 -63.54 1.4 Allowed 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.65 -1.906 . . . . 0.0 113.626 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tp -49.47 -39.94 35.32 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.77 -27.57 7.5 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 129.647 3.179 . . . . 0.0 115.35 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.752 0 C-N-CA 124.606 1.098 . . . . 0.0 114.005 174.551 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 N--CA 1.434 -2.028 0 N-CA-C 120.497 3.23 . . . . 0.0 120.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 t -128.32 159.62 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 101.623 -3.473 . . . . 0.0 101.623 175.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 72.1 p -117.35 161.35 19.67 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.825 -1.797 . . . . 0.0 110.473 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -55.93 -27.9 54.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.346 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -72.11 -40.64 68.01 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.646 1.578 . . . . 0.0 111.989 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.18 -31.83 70.73 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.943 1.297 . . . . 0.0 111.441 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.77 -47.1 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 128.393 2.677 . . . . 0.0 110.071 171.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.01 36.79 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -59.25 -34.14 71.87 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.752 2.021 . . . . 0.0 114.74 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -73.96 -44.57 54.37 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 123.69 0.796 . . . . 0.0 112.643 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -74.98 -17.15 60.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.588 -1.945 . . . . 0.0 112.798 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.67 32.26 9.45 Favored Glycine 0 N--CA 1.43 -1.741 0 C-N-CA 125.992 1.758 . . . . 0.0 113.32 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -126.12 -178.14 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 121.235 -1.156 . . . . 0.0 110.974 -176.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.6 t -87.83 156.6 19.32 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.932 -1.105 . . . . 0.0 109.31 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.426 ' HB2' ' HG ' ' B' ' 6' ' ' LEU . 5.5 p90 -63.87 -26.81 68.78 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.04 -2.288 . . . . 0.0 114.946 177.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -70.7 -19.9 62.72 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.732 2.013 . . . . 0.0 112.614 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -81.19 -44.5 17.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.529 1.132 . . . . 0.0 109.565 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -55.28 -49.21 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 90.9 p -56.52 -29.81 62.3 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -63.49 -26.79 68.88 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.512 -1.368 . . . . 0.0 112.712 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.5 t -85.86 -44.03 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 120.785 -1.197 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -57.27 -65.74 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 126.363 1.865 . . . . 0.0 114.694 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.56 -7.27 0.34 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -93.56 54.72 2.08 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.428 -2.67 . . . . 0.0 112.275 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 87.44 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 127.509 2.324 . . . . 0.0 117.217 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.3 t -136.27 -98.5 0.22 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.157 1.383 . . . . 0.0 109.268 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -91.32 72.83 6.16 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.126 -1.609 . . . . 0.0 111.086 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.95 113.46 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 125.063 1.345 . . . . 0.0 109.164 175.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.6 t -70.61 126.59 30.03 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.871 -1.143 . . . . 0.0 110.761 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.44 -36.02 82.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.509 -1.37 . . . . 0.0 113.57 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.53 -55.0 38.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.245 1.418 . . . . 0.0 112.12 174.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -70.91 -42.25 70.17 Favored 'General case' 0 N--CA 1.429 -1.515 0 N-CA-C 117.16 2.281 . . . . 0.0 117.16 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -40.71 -52.45 2.94 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.33 -20.32 58.84 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 127.038 2.135 . . . . 0.0 115.525 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.98 -40.48 12.99 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-O 123.599 1.666 . . . . 0.0 109.327 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.1 t -72.04 -40.81 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 O-C-N 119.938 -1.726 . . . . 0.0 112.428 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -58.35 -27.93 64.64 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 123.721 0.808 . . . . 0.0 112.363 174.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.15 60.11 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 123.796 0.838 . . . . 0.0 112.779 171.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -62.02 -45.23 94.51 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.941 -2.35 . . . . 0.0 114.816 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 1.1 ptp -65.72 -16.55 63.87 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.853 -1.779 . . . . 0.0 113.826 173.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.64 -45.41 13.49 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.309 0.958 . . . . 0.0 110.894 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.5 -48.36 72.82 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 122.409 1.099 . . . . 0.0 112.933 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 14.5 mt -82.75 -16.75 46.76 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.729 2.012 . . . . 0.0 115.005 -177.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.412 1.4 p-10 60.51 59.24 2.28 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.363 3.065 . . . . 0.0 112.834 -175.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -54.29 129.71 36.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.22 107.42 55.64 Favored Pre-proline 0 N--CA 1.429 -1.484 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -72.26 154.79 56.6 Favored 'Trans proline' 0 C--N 1.3 -2.017 0 CA-C-N 123.982 2.458 . . . . 0.0 115.593 151.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -125.65 141.44 52.02 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 121.183 -0.948 . . . . 0.0 110.532 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -81.31 45.12 0.83 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 123.836 1.779 . . . . 0.0 115.241 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 33.0 t -116.66 -56.19 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 129.326 3.05 . . . . 0.0 104.974 171.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.77 81.1 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 129.377 3.071 . . . . 0.0 112.807 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.34 -0.45 25.65 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.265 -1.522 . . . . 0.0 114.578 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -114.35 -57.25 2.3 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.725 -1.859 . . . . 0.0 115.263 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -53.96 -43.24 69.72 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.657 -1.902 . . . . 0.0 116.003 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.34 -19.73 0.55 Allowed 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 130.682 3.593 . . . . 0.0 118.433 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.715 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 171.821 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 N--CA 1.433 -2.034 0 N-CA-C 119.21 2.735 . . . . 0.0 119.21 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 t -110.88 159.28 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 129.416 3.086 . . . . 0.0 103.627 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.1 p -120.43 161.1 21.81 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.567 -1.333 . . . . 0.0 109.911 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.41 HD21 ' H ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -54.21 -29.5 46.42 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.592 2.357 . . . . 0.0 113.8 173.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.41 ' H ' HD21 ' A' ' 6' ' ' LEU . 79.1 m-85 -71.3 -40.69 70.67 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 126.814 2.045 . . . . 0.0 111.535 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.98 -37.8 86.88 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.758 -1.214 . . . . 0.0 112.119 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.41 HG22 ' CG ' ' A' ' 47' ' ' TYR . 4.1 t -67.0 -47.73 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.85 2.46 . . . . 0.0 111.705 172.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.79 -52.41 64.08 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.869 2.068 . . . . 0.0 114.648 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -58.75 -44.82 90.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.208 1.403 . . . . 0.0 112.951 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -62.25 -47.73 83.06 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 41' ' ' ALA . . . -77.17 -19.31 56.97 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.185 -1.572 . . . . 0.0 113.792 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.05 37.9 8.16 Favored Glycine 0 N--CA 1.429 -1.796 0 C-N-CA 125.341 1.448 . . . . 0.0 113.979 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.44 -177.63 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.693 1.597 . . . . 0.0 111.827 -174.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.4 t -87.4 165.14 15.8 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.554 -1.341 . . . . 0.0 111.154 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -68.72 -34.53 75.79 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.618 -1.927 . . . . 0.0 112.009 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -88.83 14.95 9.17 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.758 -1.214 . . . . 0.0 113.313 170.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 m -91.04 -50.18 6.0 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 105.253 -2.129 . . . . 0.0 105.253 165.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.1 t -50.71 -60.47 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 127.469 2.308 . . . . 0.0 115.859 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.1 p -54.38 -34.9 62.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -68.16 -21.8 64.88 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 111.727 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.91 -45.66 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 119.477 -2.015 . . . . 0.0 109.125 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.2 t -55.26 -52.4 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.744 2.418 . . . . 0.0 112.43 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -87.8 5.64 39.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.898 0.879 . . . . 0.0 112.877 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 46.85 69.31 0.5 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 -177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.71 -168.78 2.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.981 1.712 . . . . 0.0 113.511 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.7 m -71.79 -64.11 1.0 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.122 -2.236 . . . . 0.0 115.872 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -77.84 69.68 4.11 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -174.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.85 117.03 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 176.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 t -79.55 127.64 32.4 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 121.841 0.829 . . . . 0.0 109.752 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.74 -33.09 73.44 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -64.76 -56.46 13.44 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.021 1.391 . . . . 0.0 110.818 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.6 m -64.36 -42.41 96.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 127.617 2.367 . . . . 0.0 113.912 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -41.1 -48.98 3.44 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.59 -18.8 65.59 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -82.16 -40.56 21.62 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 124.501 1.12 . . . . 0.0 108.261 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.0 t -70.5 -47.78 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.318 1.447 . . . . 0.0 110.932 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.89 -25.94 68.38 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.769 -1.207 . . . . 0.0 112.952 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.8 -35.79 67.42 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.299 1.04 . . . . 0.0 112.356 169.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HB3' ' HB1' ' A' ' 13' ' ' ALA . . . -64.97 -45.1 87.09 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.153 -1.592 . . . . 0.0 113.514 -178.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.0 mtt -50.96 -37.44 44.57 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.478 1.511 . . . . 0.0 113.844 169.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.5 -35.83 45.86 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.619 1.567 . . . . 0.0 113.524 -171.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -69.78 -62.32 1.43 Allowed 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.666 1.698 . . . . 0.0 111.383 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.91 -27.96 66.24 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 112.973 -1.921 . . . . 0.0 114.488 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.84 67.31 0.23 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.415 2.286 . . . . 0.0 108.684 -173.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CG ' HG22 ' A' ' 9' ' ' VAL . 14.5 t80 -63.44 136.14 57.4 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.1 mm -106.87 115.46 60.3 Favored Pre-proline 0 N--CA 1.43 -1.443 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -53.26 107.88 0.23 Allowed 'Trans proline' 0 C--N 1.3 -2.01 0 CA-C-N 123.433 2.262 . . . . 0.0 115.245 150.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -83.2 107.36 15.7 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 119.74 1.155 . . . . 0.0 108.374 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -72.64 -14.59 61.63 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.146 -2.221 . . . . 0.0 114.764 -174.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.07 -44.46 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 119.743 -1.848 . . . . 0.0 111.836 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.03 86.25 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 128.02 2.528 . . . . 0.0 113.34 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -59.83 -29.9 68.57 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.94 2.496 . . . . 0.0 113.387 173.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -87.52 -48.66 7.75 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.562 -1.336 . . . . 0.0 113.86 178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.58 -38.05 89.69 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.59 -67.91 0.52 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 121.714 -0.616 . . . . 0.0 109.539 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.74 1 C-N-CA 132.142 4.687 . . . . 0.0 121.433 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 N--CA 1.434 -1.983 0 N-CA-C 118.204 2.348 . . . . 0.0 118.204 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 t -105.66 162.34 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 130.639 3.576 . . . . 0.0 103.727 173.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.7 p -123.97 158.6 31.68 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.202 1.365 . . . . 0.0 108.958 -178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.17 -26.86 41.59 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 174.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -71.01 -38.19 72.65 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.763 2.425 . . . . 0.0 111.395 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.17 -39.13 78.91 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.852 1.261 . . . . 0.0 110.93 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.8 t -66.59 -48.19 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 127.075 2.15 . . . . 0.0 111.309 171.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.07 -50.26 71.47 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.677 1.591 . . . . 0.0 114.983 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -58.71 -42.67 89.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.201 1.8 . . . . 0.0 114.941 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -66.58 -47.68 71.99 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.285 -1.509 . . . . 0.0 113.137 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -74.65 -23.41 58.66 Favored 'General case' 0 N--CA 1.432 -1.373 0 O-C-N 119.779 -1.825 . . . . 0.0 113.099 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.46 31.99 8.51 Favored Glycine 0 N--CA 1.431 -1.667 0 C-N-CA 126.087 1.803 . . . . 0.0 113.76 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -126.95 -169.58 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 125.636 1.575 . . . . 0.0 111.999 -169.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.0 t -96.38 162.75 13.36 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.506 1.146 . . . . 0.0 110.181 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -66.88 -32.43 73.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.564 -1.96 . . . . 0.0 111.991 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -88.29 6.05 38.88 Favored 'General case' 0 CA--C 1.488 -1.407 0 O-C-N 120.141 -1.599 . . . . 0.0 113.616 170.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 89.0 m -84.38 -47.99 10.13 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 104.466 -2.42 . . . . 0.0 104.466 166.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.0 t -50.65 -63.09 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 N-CA-C 116.64 2.089 . . . . 0.0 116.64 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.8 p -56.99 -33.4 67.08 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -23.36 66.32 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.727 -1.233 . . . . 0.0 111.852 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.68 -49.63 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 120.055 -1.653 . . . . 0.0 109.888 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -48.6 -54.77 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 127.952 2.501 . . . . 0.0 115.168 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -85.56 -11.35 54.26 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.9 1.28 . . . . 0.0 113.267 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.253 33.5 mt-30 66.24 70.58 0.42 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.961 2.104 . . . . 0.0 113.903 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.23 -162.07 0.8 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.129 1.372 . . . . 0.0 112.569 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 74.9 m -79.74 -58.32 3.24 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.834 -1.791 . . . . 0.0 114.458 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -82.9 69.81 9.78 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 78.4 t -101.55 115.51 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 25.1 t -77.88 122.61 25.7 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.529 1.132 . . . . 0.0 110.468 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -28.93 68.15 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -175.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -69.09 -55.65 10.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.61 1.564 . . . . 0.0 111.492 174.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 5.1 m -68.72 -34.18 75.2 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -41.79 -51.79 4.12 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.01 -16.62 64.06 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -83.16 -40.69 19.4 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -70.24 -47.98 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 121.553 -0.717 . . . . 0.0 112.507 173.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.251 39.3 mt-10 -62.83 -27.84 69.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 118.625 0.648 . . . . 0.0 112.115 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.98 -38.63 72.74 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 121.14 -0.975 . . . . 0.0 112.16 169.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -63.25 -42.27 99.17 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.597 -1.94 . . . . 0.0 114.713 -178.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 30.3 mtt -54.48 -29.79 51.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.728 1.611 . . . . 0.0 115.02 168.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.88 -31.0 20.99 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 125.128 1.371 . . . . 0.0 113.662 -171.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.06 -59.02 2.92 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 124.021 1.867 . . . . 0.0 108.747 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -76.53 -23.51 53.65 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.282 2.233 . . . . 0.0 115.295 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.28 64.23 0.85 Allowed 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.932 1.693 . . . . 0.0 111.051 -173.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -61.14 132.5 53.93 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 11.2 mm -100.85 117.41 62.62 Favored Pre-proline 0 N--CA 1.431 -1.425 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -53.89 108.9 0.31 Allowed 'Trans proline' 0 N--CA 1.433 -2.038 0 CA-C-N 124.058 2.485 . . . . 0.0 116.306 150.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -82.85 112.38 19.61 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 mtt85 -79.28 -11.44 59.94 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.086 -2.259 . . . . 0.0 113.293 -173.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 t -75.6 -42.85 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 120.139 -1.601 . . . . 0.0 111.233 177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.47 70.66 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 128.187 2.595 . . . . 0.0 112.921 171.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -73.25 -26.16 61.0 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.876 -1.765 . . . . 0.0 112.52 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -91.68 -44.65 8.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.705 1.742 . . . . 0.0 115.705 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.14 -45.4 85.17 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 -69.72 0.29 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.333 1.053 . . . . 0.0 111.183 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.685 0 C-N-CA 130.676 3.988 . . . . 0.0 119.534 175.881 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo . . . . . 0 N--CA 1.435 -1.958 0 N-CA-C 118.658 2.522 . . . . 0.0 118.658 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.1 169.56 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 130.447 3.499 . . . . 0.0 104.977 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 p -132.86 159.44 39.85 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.721 -1.862 . . . . 0.0 108.295 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.46 -31.29 22.71 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 172.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -74.52 -30.49 61.8 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.271 1.829 . . . . 0.0 112.269 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -40.83 69.96 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.422 1.489 . . . . 0.0 110.484 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -66.14 -47.5 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 127.872 2.469 . . . . 0.0 111.347 173.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.22 78.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.59 -45.15 92.73 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.76 1.624 . . . . 0.0 113.597 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.72 -48.61 78.49 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.061 -1.649 . . . . 0.0 113.389 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -74.7 -14.09 60.69 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.563 -1.336 . . . . 0.0 113.38 -177.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.59 31.65 36.17 Favored Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 125.805 1.669 . . . . 0.0 112.788 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.0 m -124.33 -168.72 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 125.131 1.372 . . . . 0.0 109.566 -176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 p -102.64 167.11 10.12 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.984 -1.072 . . . . 0.0 111.626 175.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -68.37 -29.89 68.7 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 118.792 -2.443 . . . . 0.0 113.49 176.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -63.06 -40.77 98.67 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.958 2.103 . . . . 0.0 111.122 171.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -66.06 -42.56 89.29 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.702 -1.249 . . . . 0.0 111.581 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.28 -55.59 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.6 t -55.53 -32.35 62.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.91 -36.04 62.3 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.112 1.765 . . . . 0.0 113.587 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.5 t -88.69 -45.43 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 125.13 1.372 . . . . 0.0 110.027 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.87 -46.08 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 128.013 2.525 . . . . 0.0 113.906 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -90.81 0.02 57.58 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.389 -1.444 . . . . 0.0 114.166 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 52.59 64.31 1.9 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.996 2.119 . . . . 0.0 115.687 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.56 -174.71 2.16 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 121.959 0.885 . . . . 0.0 111.901 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.9 m -82.44 -54.24 5.36 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.746 -1.846 . . . . 0.0 110.229 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -77.26 70.48 3.66 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.086 1.354 . . . . 0.0 113.242 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.7 t -105.68 125.29 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 173.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 t -72.56 119.79 17.28 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 121.085 -1.009 . . . . 0.0 110.121 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.58 -29.48 70.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.401 1.48 . . . . 0.0 114.019 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -66.72 -55.82 13.35 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.764 -1.21 . . . . 0.0 110.756 174.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -65.57 -37.91 88.02 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.657 1.983 . . . . 0.0 115.727 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -43.36 -49.59 6.94 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.54 -19.63 63.84 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.685 1.994 . . . . 0.0 115.696 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -84.58 -43.66 14.26 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.947 -1.095 . . . . 0.0 108.319 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 t -68.18 -46.24 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 124.048 0.939 . . . . 0.0 111.503 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -58.12 -29.12 65.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 121.182 -0.949 . . . . 0.0 112.668 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.21 71.77 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 123.141 0.576 . . . . 0.0 112.368 172.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -66.19 -41.67 89.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.524 -1.985 . . . . 0.0 115.077 178.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.9 mtt -55.99 -27.26 52.0 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 168.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.32 -42.48 14.56 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.505 1.122 . . . . 0.0 113.313 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -68.32 -52.32 34.85 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 123.903 1.811 . . . . 0.0 112.603 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.31 -23.75 37.65 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 113.437 -1.71 . . . . 0.0 113.189 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.86 63.88 0.31 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.926 2.091 . . . . 0.0 110.514 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -60.07 124.33 19.89 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -105.69 105.25 52.21 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 169.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -64.56 115.06 2.99 Favored 'Trans proline' 0 C--N 1.299 -2.037 0 CA-C-N 123.474 2.277 . . . . 0.0 115.95 154.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -75.51 140.37 42.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.255 1.422 . . . . 0.0 112.817 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -73.19 -28.85 62.43 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.95 -1.719 . . . . 0.0 113.268 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -62.29 -40.97 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.702 -1.874 . . . . 0.0 113.293 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.41 -24.17 65.63 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.745 2.418 . . . . 0.0 113.49 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -81.88 -32.78 30.86 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.712 -1.242 . . . . 0.0 111.243 173.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -86.72 -36.74 18.49 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 -172.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 56' ' ' LEU . 8.0 tp -71.32 -42.68 68.31 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.624 -1.923 . . . . 0.0 112.48 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.68 -58.05 10.25 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.235 2.214 . . . . 0.0 108.779 165.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.727 0 N-CA-C 121.927 3.531 . . . . 0.0 121.927 162.159 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 N--CA 1.434 -1.972 0 N-CA-C 117.904 2.232 . . . . 0.0 117.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.05 164.94 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 N-CA-C 103.077 -2.934 . . . . 0.0 103.077 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 20.2 p -128.26 160.98 30.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.769 -1.832 . . . . 0.0 109.521 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.438 HD22 ' H ' ' B' ' 7' ' ' TYR . 0.8 OUTLIER -50.85 -31.7 18.06 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 171.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . 0.438 ' H ' HD22 ' B' ' 6' ' ' LEU . 60.5 m-85 -72.08 -35.1 69.15 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.28 1.432 . . . . 0.0 112.538 176.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -40.2 77.07 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.637 1.575 . . . . 0.0 110.657 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 t -64.88 -48.49 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.726 2.41 . . . . 0.0 111.365 173.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.35 83.51 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -61.67 -43.72 98.32 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.867 1.667 . . . . 0.0 113.364 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -62.91 -49.47 74.67 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.149 0.98 . . . . 0.0 113.184 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -74.56 -10.63 59.73 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.724 -1.235 . . . . 0.0 113.377 -176.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.12 27.86 61.37 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 125.845 1.688 . . . . 0.0 113.8 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -116.26 -152.89 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.389 1.476 . . . . 0.0 110.632 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.4 p -120.51 165.05 15.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.785 1.634 . . . . 0.0 109.546 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -66.98 -30.06 70.07 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.731 -1.855 . . . . 0.0 113.249 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -65.46 -39.33 91.87 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.123 1.769 . . . . 0.0 111.595 172.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -66.26 -43.27 86.95 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.643 1.177 . . . . 0.0 111.335 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.15 -58.27 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.1 t -58.03 -29.19 65.15 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -54.24 -36.03 63.12 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.12 1.768 . . . . 0.0 113.352 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 37.4 t -88.13 -46.67 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 124.26 1.024 . . . . 0.0 110.497 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.35 -48.52 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.073 2.149 . . . . 0.0 114.52 -178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -84.06 -15.06 48.85 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 66.84 70.96 0.39 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.944 1.697 . . . . 0.0 113.655 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.64 -170.31 1.52 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 122.368 1.08 . . . . 0.0 111.957 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.3 m -90.08 -52.55 4.9 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.274 -2.141 . . . . 0.0 109.696 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -78.67 73.96 5.21 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.794 0.838 . . . . 0.0 112.604 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.48 129.14 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 174.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.8 t -75.71 119.13 19.32 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.244 -1.535 . . . . 0.0 110.325 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.92 70.11 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -67.31 -56.79 8.3 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.265 1.426 . . . . 0.0 110.514 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.3 m -65.46 -36.23 83.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.883 2.073 . . . . 0.0 116.324 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -45.11 -51.57 10.14 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.14 -15.88 48.78 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 117.028 2.232 . . . . 0.0 117.028 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -85.65 -43.37 13.49 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.153 -1.592 . . . . 0.0 107.32 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 t -68.07 -45.82 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 120.862 -1.148 . . . . 0.0 113.197 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -58.2 -31.76 67.62 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 123.967 0.907 . . . . 0.0 111.693 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.9 -38.62 79.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.475 -0.766 . . . . 0.0 113.043 171.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -65.75 -40.84 92.5 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.418 -2.051 . . . . 0.0 114.534 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 33.0 mtt -56.51 -30.55 63.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.89 -39.08 22.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.417 1.087 . . . . 0.0 113.421 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.75 -52.5 24.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 124.5 2.095 . . . . 0.0 112.224 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.7 -22.65 34.44 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.325 1.45 . . . . 0.0 113.053 -174.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.52 66.33 0.25 Allowed 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 127.088 2.155 . . . . 0.0 109.484 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -63.32 126.2 26.67 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.76 105.0 53.75 Favored Pre-proline 0 N--CA 1.43 -1.455 0 N-CA-C 102.724 -3.065 . . . . 0.0 102.724 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -65.23 114.01 2.66 Favored 'Trans proline' 0 C--N 1.299 -2.064 0 CA-C-N 123.034 2.119 . . . . 0.0 115.478 153.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -75.55 141.34 42.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.32 1.533 . . . . 0.0 114.643 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -70.14 -32.39 70.36 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.778 -1.826 . . . . 0.0 114.202 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.29 -41.36 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-O 123.979 1.847 . . . . 0.0 113.562 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.36 -24.57 64.81 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.838 2.455 . . . . 0.0 113.027 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -80.75 -33.92 34.71 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.581 1.181 . . . . 0.0 111.944 173.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -84.49 -37.93 20.71 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 119.26 3.059 . . . . 0.0 119.26 -172.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 tp -71.16 -45.47 63.44 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.109 -2.245 . . . . 0.0 111.821 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.66 67.29 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.375 2.67 . . . . 0.0 110.314 166.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.705 0 N-CA-C 121.699 3.44 . . . . 0.0 121.699 162.033 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo . . . . . 0 N--CA 1.434 -2.003 0 N-CA-C 118.885 2.61 . . . . 0.0 118.885 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.3 t -140.69 163.16 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -126.42 162.2 26.13 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 119.783 1.174 . . . . 0.0 109.84 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -51.48 -31.49 23.68 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.654 1.982 . . . . 0.0 115.485 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -72.97 -37.87 66.91 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.517 1.927 . . . . 0.0 111.799 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -69.11 -38.96 79.19 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.403 1.481 . . . . 0.0 111.246 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.423 HG23 ' CG ' ' A' ' 47' ' ' TYR . 14.9 t -69.42 -44.65 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.545 1.938 . . . . 0.0 111.296 173.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -52.44 65.37 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.115 1.366 . . . . 0.0 113.458 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.57 -40.57 92.15 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.02 1.328 . . . . 0.0 113.572 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 53.6 t80 -64.22 -48.47 75.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.736 -1.228 . . . . 0.0 113.6 176.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -76.88 -14.76 59.85 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.833 -1.792 . . . . 0.0 112.802 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.12 36.44 10.0 Favored Glycine 0 N--CA 1.43 -1.717 0 O-C-N 120.165 -1.585 . . . . 0.0 113.568 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.94 -171.21 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 125.042 1.337 . . . . 0.0 111.424 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.4 t -97.86 167.47 10.91 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.945 1.355 . . . . 0.0 110.138 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -73.14 -26.43 61.21 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.878 -1.764 . . . . 0.0 112.189 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.99 -40.09 87.31 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.979 1.311 . . . . 0.0 112.116 170.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.0 m -60.43 -44.16 96.07 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.929 2.092 . . . . 0.0 111.512 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.68 -61.07 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 126.592 1.957 . . . . 0.0 115.105 173.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -52.33 -33.78 44.2 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -23.03 64.99 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.093 -1.629 . . . . 0.0 114.759 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 t -90.44 -51.05 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.468 -1.395 . . . . 0.0 109.701 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.4 t -52.86 -49.68 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 129.186 2.995 . . . . 0.0 114.359 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.75 -1.82 29.23 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.922 1.289 . . . . 0.0 114.443 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.256 77.0 mt-30 62.53 56.56 2.02 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.03 -164.63 0.84 Allowed 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.601 -1.312 . . . . 0.0 111.285 176.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -112.57 -72.19 0.72 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.563 -1.336 . . . . 0.0 113.554 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -71.29 82.89 0.76 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 120.014 3.338 . . . . 0.0 120.014 -167.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.3 t -133.42 -80.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 N-CA-C 104.771 -2.307 . . . . 0.0 104.771 167.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -179.04 -169.97 0.17 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 101.161 -3.644 . . . . 0.0 101.161 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.43 -30.56 3.64 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 122.036 2.198 . . . . 0.0 114.676 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -67.42 -52.73 36.2 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.6 m -48.4 -40.62 26.41 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 127.068 2.147 . . . . 0.0 116.338 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -29.86 -52.98 0.14 Allowed 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 118.372 2.731 . . . . 0.0 118.372 169.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.31 -21.94 66.78 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.18 2.192 . . . . 0.0 116.755 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -82.98 -36.99 24.64 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.875 1.67 . . . . 0.0 108.97 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.1 t -67.14 -41.08 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 121.774 -0.579 . . . . 0.0 112.143 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -51.82 -31.2 26.49 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.89 70.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.881 1.272 . . . . 0.0 113.607 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -62.24 -38.66 90.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.499 -2.001 . . . . 0.0 115.698 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.0 mtt -53.22 -31.1 41.51 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.05 -26.4 23.73 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.035 1.334 . . . . 0.0 113.642 -172.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 4.8 mm-40 -76.67 -57.98 3.54 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-O 123.448 1.594 . . . . 0.0 111.911 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -75.98 -22.63 55.67 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 127.148 2.179 . . . . 0.0 114.547 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.95 65.68 0.17 Allowed 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 127.115 2.166 . . . . 0.0 108.597 -173.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.423 ' CG ' HG23 ' A' ' 9' ' ' VAL . 11.4 t80 -62.94 121.32 13.23 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.0 109.4 63.07 Favored Pre-proline 0 N--CA 1.43 -1.455 0 N-CA-C 103.131 -2.914 . . . . 0.0 103.131 170.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -65.42 135.36 42.37 Favored 'Trans proline' 0 C--N 1.299 -2.03 0 CA-C-N 122.695 1.998 . . . . 0.0 114.603 151.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -93.31 133.88 36.09 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.803 -1.186 . . . . 0.0 108.442 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -72.96 -15.19 61.56 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.142 -1.598 . . . . 0.0 111.865 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.8 t -64.77 -47.94 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 127.354 2.261 . . . . 0.0 111.816 171.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.48 -24.19 65.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.438 1.895 . . . . 0.0 113.037 174.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -83.32 -16.08 47.58 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.88 -1.763 . . . . 0.0 112.512 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -101.67 -40.58 6.92 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 tp -65.43 -43.73 89.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.983 -1.698 . . . . 0.0 113.738 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.47 -73.4 0.17 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.377 1.071 . . . . 0.0 108.734 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.802 1 C-N-CA 131.969 4.604 . . . . 0.0 121.461 174.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo . . . . . 0 N--CA 1.433 -2.031 0 N-CA-C 106.464 -2.168 . . . . 0.0 106.464 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.91 166.39 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 126.388 1.875 . . . . 0.0 106.036 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -124.89 159.52 30.94 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.851 -1.156 . . . . 0.0 108.13 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -49.49 -34.07 16.09 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 169.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -72.16 -34.01 68.15 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.653 1.981 . . . . 0.0 113.071 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -72.76 -39.9 66.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 122.328 1.061 . . . . 0.0 110.392 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.5 -44.18 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 126.102 1.761 . . . . 0.0 111.086 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.52 73.3 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.69 -40.51 92.45 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.576 -1.328 . . . . 0.0 113.287 175.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.476 ' CE1' ' HG3' ' B' ' 44' ' ' GLU . 50.5 t80 -63.29 -47.96 80.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.235 -1.541 . . . . 0.0 113.495 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -77.44 -13.6 59.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.583 -1.323 . . . . 0.0 113.432 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.29 33.81 22.02 Favored Glycine 0 N--CA 1.429 -1.78 0 C-N-CA 125.488 1.518 . . . . 0.0 113.927 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 26.2 m -127.58 -174.04 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.862 1.665 . . . . 0.0 112.083 -175.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 32.3 t -95.02 168.37 10.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 123.604 1.668 . . . . 0.0 110.687 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -75.52 -24.89 56.84 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.766 -1.833 . . . . 0.0 112.493 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -68.09 -41.65 81.54 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.459 1.504 . . . . 0.0 110.559 170.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.1 m -59.68 -43.8 93.88 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 125.797 1.639 . . . . 0.0 112.052 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.46 -61.06 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 126.336 1.854 . . . . 0.0 115.342 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.2 t -55.68 -31.96 62.85 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -21.68 63.84 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.144 -1.598 . . . . 0.0 114.601 172.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.58 -51.17 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 120.111 -1.618 . . . . 0.0 109.163 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 t -51.39 -52.47 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 129.037 2.935 . . . . 0.0 114.465 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.89 -4.05 28.52 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.26 76.4 mt-30 64.0 67.91 0.59 Allowed 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.45 -151.5 0.23 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.275 -1.516 . . . . 0.0 111.106 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.9 m -124.94 -75.17 0.6 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.769 -1.207 . . . . 0.0 112.233 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -70.6 83.34 0.61 Allowed 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 119.294 3.072 . . . . 0.0 119.294 -168.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.19 -74.75 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 168.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 29.8 t 173.71 -173.25 0.05 Allowed 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 101.219 -3.623 . . . . 0.0 101.219 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -122.73 -25.05 4.73 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -70.82 -54.78 10.3 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.489 -1.382 . . . . 0.0 113.698 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 7.7 m -47.56 -41.34 21.16 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.901 2.08 . . . . 0.0 116.304 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -30.0 -51.04 0.12 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 118.632 2.827 . . . . 0.0 118.632 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.11 -24.76 67.52 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -80.48 -34.23 35.99 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.98 1.712 . . . . 0.0 109.769 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 t -70.69 -40.92 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.228 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -52.32 -33.01 40.61 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 122.432 1.11 . . . . 0.0 113.343 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.28 73.39 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.706 1.202 . . . . 0.0 114.228 174.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -64.83 -43.0 94.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.472 -1.392 . . . . 0.0 114.671 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 43.7 mtt -48.13 -34.05 9.25 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 126.249 1.82 . . . . 0.0 114.78 171.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.9 -25.4 35.0 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -174.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.476 ' HG3' ' CE1' ' B' ' 12' ' ' TYR . 5.7 mm-40 -78.94 -61.2 2.09 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.338 -1.476 . . . . 0.0 111.377 -176.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.25 -16.59 54.38 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.052 1.741 . . . . 0.0 113.202 -175.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.14 63.23 0.1 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.316 2.246 . . . . 0.0 109.506 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -59.69 120.76 10.09 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.29 101.13 33.26 Favored Pre-proline 0 N--CA 1.43 -1.435 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -61.83 129.92 29.3 Favored 'Trans proline' 0 C--N 1.3 -2.009 0 CA-C-N 123.827 2.403 . . . . 0.0 115.459 152.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -91.12 134.81 34.22 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 121.078 -1.014 . . . . 0.0 109.321 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -70.65 -14.44 62.47 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.369 -1.457 . . . . 0.0 113.789 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 9.8 t -65.23 -49.0 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 127.921 2.488 . . . . 0.0 111.375 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.18 -21.81 65.77 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 124.338 2.018 . . . . 0.0 113.451 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -84.69 -19.16 33.26 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.337 -1.477 . . . . 0.0 111.11 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -100.09 -36.88 9.18 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 56' ' ' LEU . 10.6 tp -68.63 -42.69 77.71 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 120.934 1.697 . . . . 0.0 113.515 -176.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -75.75 0.11 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.285 1.434 . . . . 0.0 109.065 167.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 1 C-N-CA 130.766 4.031 . . . . 0.0 121.558 173.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo . . . . . 0 N--CA 1.433 -2.043 0 CA-C-O 122.083 0.785 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.5 t -120.7 160.79 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 101.74 -3.43 . . . . 0.0 101.74 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -121.04 158.39 27.93 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.011 -1.681 . . . . 0.0 109.678 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.402 HD21 ' H ' ' A' ' 7' ' ' TYR . 1.1 pt? -49.34 -31.85 10.11 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.381 1.872 . . . . 0.0 114.863 171.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.402 ' H ' HD21 ' A' ' 6' ' ' LEU . 78.6 m-85 -71.13 -40.74 71.24 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 125.791 1.636 . . . . 0.0 112.45 175.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -68.23 -39.25 82.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.817 1.247 . . . . 0.0 110.38 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 t -64.78 -45.91 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 126.608 1.963 . . . . 0.0 111.243 172.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.24 70.91 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 125.714 1.605 . . . . 0.0 114.378 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -61.12 -36.23 79.18 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.935 1.294 . . . . 0.0 114.04 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -67.38 -49.18 64.99 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.266 -0.896 . . . . 0.0 113.001 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 41' ' ' ALA . . . -75.28 -21.83 58.21 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.338 -2.101 . . . . 0.0 112.699 -178.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.9 34.97 6.97 Favored Glycine 0 N--CA 1.43 -1.715 0 O-C-N 119.9 -1.75 . . . . 0.0 113.595 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.71 -165.4 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 124.645 1.178 . . . . 0.0 111.3 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.2 t -98.93 162.34 13.14 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 123.073 1.416 . . . . 0.0 108.546 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -66.66 -33.95 76.79 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.991 -1.693 . . . . 0.0 112.8 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -70.11 -30.1 67.21 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.005 -1.685 . . . . 0.0 113.738 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.2 m -61.52 -42.63 99.09 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.057 1.343 . . . . 0.0 110.739 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.64 -59.21 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 125.242 1.417 . . . . 0.0 113.627 171.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.7 m -55.44 -25.77 38.16 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 118.62 2.822 . . . . 0.0 118.62 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -71.77 -23.97 61.68 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.049 -1.657 . . . . 0.0 111.999 173.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -84.48 -48.62 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-O 123.889 1.804 . . . . 0.0 110.14 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.7 t -54.81 -43.34 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 128.336 2.654 . . . . 0.0 113.07 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -84.21 -4.92 59.14 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 60.94 54.4 3.45 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.79 1.636 . . . . 0.0 114.811 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.44 -179.08 7.3 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.6 m -78.72 -59.55 2.74 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.605 -1.309 . . . . 0.0 112.844 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -79.55 72.58 6.22 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.5 t -114.21 135.26 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 127.649 2.379 . . . . 0.0 106.488 173.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.2 t -84.08 132.06 34.74 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 121.3 -0.875 . . . . 0.0 109.228 177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -33.53 73.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -70.32 -56.27 7.12 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-O 123.11 1.433 . . . . 0.0 110.693 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -57.71 -37.09 72.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.691 1.996 . . . . 0.0 114.778 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -49.83 -48.23 51.02 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.93 -10.55 29.82 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -95.24 -43.11 8.21 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.723 -1.236 . . . . 0.0 108.904 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.85 -46.87 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 124.636 1.174 . . . . 0.0 113.025 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -56.4 -35.05 67.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.951 1.3 . . . . 0.0 111.972 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.17 -37.18 72.2 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.483 1.513 . . . . 0.0 113.293 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' HB1' ' A' ' 13' ' ' ALA . . . -64.05 -41.77 97.27 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.055 -1.653 . . . . 0.0 114.4 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.1 mtt -57.59 -27.85 63.09 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 120.654 -1.279 . . . . 0.0 113.649 171.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.84 -31.86 20.58 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 123.954 0.902 . . . . 0.0 113.32 -172.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -72.18 -59.33 2.79 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 123.145 1.45 . . . . 0.0 112.09 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.84 -24.13 58.55 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.197 1.799 . . . . 0.0 114.285 -176.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 72.11 67.9 0.14 Allowed 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.727 2.411 . . . . 0.0 109.396 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -63.08 115.25 4.28 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.12 108.2 60.74 Favored Pre-proline 0 N--CA 1.43 -1.452 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 167.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -65.65 152.05 82.84 Favored 'Trans proline' 0 N--CA 1.434 -2.026 0 CA-C-N 123.913 2.433 . . . . 0.0 118.404 155.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -96.41 142.46 28.49 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.805 1.288 . . . . 0.0 109.004 175.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -82.36 -23.06 35.21 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 118.927 -2.358 . . . . 0.0 112.729 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -57.14 -41.29 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 C-N-CA 127.822 2.449 . . . . 0.0 111.049 170.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -24.33 66.42 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.703 2.801 . . . . 0.0 114.464 176.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -88.51 -32.11 18.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.429 -1.42 . . . . 0.0 112.101 174.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -80.47 -46.04 16.56 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 116.534 2.05 . . . . 0.0 116.534 -172.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.81 -46.13 79.77 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.902 -1.749 . . . . 0.0 112.099 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.91 -44.89 50.49 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 130.012 3.325 . . . . 0.0 113.213 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.731 0 C-N-CA 123.482 0.563 . . . . 0.0 113.778 171.565 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 N--CA 1.433 -2.056 0 CA-C-O 121.62 0.592 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.9 t -125.41 164.18 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 100.819 -3.771 . . . . 0.0 100.819 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 19.4 p -124.81 160.37 28.88 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.764 -1.835 . . . . 0.0 108.146 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' B' ' 17' ' ' TYR . 1.4 pt? -51.37 -30.63 19.51 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 171.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -70.23 -39.77 74.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.96 1.704 . . . . 0.0 111.22 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.33 -34.51 74.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.77 1.228 . . . . 0.0 113.074 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 t -66.79 -47.02 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.506 0 C-N-CA 126.966 2.106 . . . . 0.0 109.908 171.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.74 68.54 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -58.66 -39.09 79.64 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.115 1.766 . . . . 0.0 112.564 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -67.98 -48.16 66.58 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.106 -1.621 . . . . 0.0 114.368 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -74.88 -20.73 59.6 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.551 -1.343 . . . . 0.0 113.226 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.54 29.94 15.03 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 124.962 1.268 . . . . 0.0 112.567 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.4 m -121.26 -176.39 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 C-N-CA 126.121 1.768 . . . . 0.0 111.364 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.5 t -84.44 163.2 19.62 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 123.762 1.744 . . . . 0.0 110.321 170.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.447 ' HB2' ' HG ' ' B' ' 6' ' ' LEU . 48.0 p90 -69.89 -32.5 70.86 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.163 -2.211 . . . . 0.0 112.24 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -69.65 -34.3 73.81 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.327 -1.483 . . . . 0.0 112.247 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 85.2 m -59.87 -44.01 94.4 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.624 1.969 . . . . 0.0 110.673 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 65.7 t -57.12 -62.01 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.88 1.272 . . . . 0.0 113.611 170.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -54.64 -28.2 45.24 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 118.726 2.861 . . . . 0.0 118.726 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -69.12 -21.47 64.03 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.57 -1.956 . . . . 0.0 114.017 172.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -85.83 -45.06 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 O-C-N 120.458 -1.402 . . . . 0.0 109.688 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.52 -46.58 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 128.132 2.573 . . . . 0.0 113.31 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -79.78 -2.52 43.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.62 -1.3 . . . . 0.0 113.686 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 56.8 61.64 2.55 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.063 2.145 . . . . 0.0 113.768 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.27 -176.91 5.83 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 123.273 1.511 . . . . 0.0 114.332 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -78.98 -62.83 1.57 Allowed 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.616 -1.302 . . . . 0.0 114.216 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -81.1 71.69 8.09 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.218 1.485 . . . . 0.0 114.862 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.8 t -111.95 139.01 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 104.296 -2.483 . . . . 0.0 104.296 172.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.2 t -88.16 138.3 31.57 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-O 122.14 0.971 . . . . 0.0 109.006 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.83 71.84 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.609 -1.307 . . . . 0.0 114.409 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -72.52 -52.95 13.47 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.286 -1.509 . . . . 0.0 111.142 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.4 m -61.67 -38.32 87.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.597 1.959 . . . . 0.0 115.177 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -50.87 -47.68 60.41 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.1 -11.14 12.5 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.032 2.133 . . . . 0.0 115.766 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -96.11 -41.53 8.68 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.131 -1.606 . . . . 0.0 109.117 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 22.7 t -68.67 -47.22 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 121.375 -0.828 . . . . 0.0 113.021 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -57.54 -32.19 66.84 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.445 1.498 . . . . 0.0 110.816 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.4 -31.57 62.38 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.525 1.13 . . . . 0.0 113.198 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -67.98 -43.62 78.54 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.724 -1.86 . . . . 0.0 113.638 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 34.8 mtt -53.82 -28.92 38.38 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.288 1.835 . . . . 0.0 114.077 170.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.89 -37.03 24.82 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.17 -62.3 1.44 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.627 -1.296 . . . . 0.0 112.761 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.3 -18.22 53.08 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.252 0.3 OUTLIER 71.09 67.21 0.17 Allowed 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 127.05 2.14 . . . . 0.0 111.459 -178.22 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -59.84 118.39 6.14 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.59 105.22 56.92 Favored Pre-proline 0 N--CA 1.43 -1.441 0 N-CA-C 104.214 -2.513 . . . . 0.0 104.214 168.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -61.71 145.26 97.53 Favored 'Trans proline' 0 C--N 1.3 -2.019 0 N-CA-C 118.923 2.624 . . . . 0.0 118.923 154.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -90.24 144.72 25.59 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 122.73 1.252 . . . . 0.0 110.064 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -81.41 -23.63 37.46 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.184 -2.198 . . . . 0.0 111.949 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 t -56.69 -42.46 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 127.274 2.229 . . . . 0.0 112.253 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.49 68.34 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 128.665 2.786 . . . . 0.0 114.465 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -87.54 -31.32 19.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.913 -1.117 . . . . 0.0 112.044 174.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -81.08 -42.52 20.87 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -173.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -67.65 -46.77 71.45 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.166 -1.584 . . . . 0.0 110.9 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.77 -44.62 38.97 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 129.926 3.29 . . . . 0.0 113.265 169.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.706 0 O-C-N 121.326 -0.859 . . . . 0.0 114.057 171.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 N--CA 1.433 -2.037 0 CA-C-O 121.864 0.693 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.15 163.89 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 106.498 -1.668 . . . . 0.0 106.498 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.1 p -133.03 160.99 35.55 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 176.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -29.56 25.62 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 172.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -70.56 -38.07 74.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.901 2.08 . . . . 0.0 111.907 175.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.38 -38.2 77.91 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.777 1.631 . . . . 0.0 111.171 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 t -64.5 -46.79 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 127.201 2.2 . . . . 0.0 110.816 170.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -51.37 69.92 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.97 -35.2 77.77 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.171 1.388 . . . . 0.0 114.042 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -69.61 -47.55 63.1 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.246 -1.534 . . . . 0.0 113.285 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -77.64 -17.71 57.48 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.973 -1.704 . . . . 0.0 113.326 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.92 45.45 7.66 Favored Glycine 0 N--CA 1.431 -1.682 0 O-C-N 120.333 -1.479 . . . . 0.0 112.271 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -135.79 -178.04 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.77 1.628 . . . . 0.0 110.647 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.0 p -86.86 166.1 15.44 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.52 -1.362 . . . . 0.0 111.85 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.317 21.2 p90 -63.93 -40.47 96.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.585 -1.947 . . . . 0.0 114.741 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -78.52 -9.52 59.36 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.983 -2.323 . . . . 0.0 115.154 173.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.8 m -72.11 -35.22 69.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 123.399 1.571 . . . . 0.0 110.261 171.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.85 -58.81 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 118.797 -2.439 . . . . 0.0 112.938 171.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.2 p -56.96 -31.31 64.86 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.506 2.039 . . . . 0.0 116.506 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -55.91 -29.58 60.28 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.956 1.702 . . . . 0.0 114.168 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.9 t -88.31 -50.76 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 120.839 -1.163 . . . . 0.0 108.831 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -48.6 -58.32 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 127.993 2.517 . . . . 0.0 115.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.58 -4.93 49.99 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 66.07 73.02 0.39 Allowed 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.797 1.639 . . . . 0.0 113.757 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.51 -144.02 0.09 Allowed 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 121.221 -0.924 . . . . 0.0 111.846 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.5 p -118.79 166.4 12.84 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.062 -1.648 . . . . 0.0 111.231 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . 0.27 13.1 t60 49.58 52.05 15.27 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.941 2.097 . . . . 0.0 114.409 -170.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -80.5 114.18 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 121.332 -0.855 . . . . 0.0 110.401 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.1 t -75.43 130.25 38.65 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.579 -1.326 . . . . 0.0 110.313 173.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.6 -36.16 82.91 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.293 1.437 . . . . 0.0 113.446 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -63.07 -52.84 61.15 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.572 -1.955 . . . . 0.0 111.414 174.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.0 m -68.73 -38.0 79.85 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -47.07 -48.79 22.45 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.924 -1.735 . . . . 0.0 115.023 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -71.43 -9.77 58.7 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -87.44 -41.01 13.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.053 1.341 . . . . 0.0 108.284 175.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.22 -41.49 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 121.061 -1.024 . . . . 0.0 112.578 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -54.91 -37.56 66.5 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.389 1.076 . . . . 0.0 112.412 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.55 75.09 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 121.1 -1.0 . . . . 0.0 113.646 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -68.93 -41.87 77.53 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.765 -1.834 . . . . 0.0 114.036 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 30.7 mtt -54.99 -25.16 28.02 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 126.604 1.962 . . . . 0.0 115.43 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.5 -41.57 14.26 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 122.028 0.918 . . . . 0.0 112.099 -174.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -67.43 -59.88 3.03 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 124.127 1.918 . . . . 0.0 113.105 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.16 -20.75 44.15 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.816 -173.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 72.2 66.81 0.13 Allowed 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 128.372 2.669 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.68 132.57 21.7 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -102.89 102.45 27.32 Favored Pre-proline 0 N--CA 1.43 -1.469 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.59 112.47 1.97 Allowed 'Trans proline' 0 N--CA 1.434 -1.976 0 CA-C-N 122.795 2.034 . . . . 0.0 114.493 153.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -86.86 120.2 27.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.618 1.567 . . . . 0.0 108.39 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -80.75 -18.87 46.33 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.203 -1.561 . . . . 0.0 112.917 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.6 t -62.71 -45.88 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.629 1.571 . . . . 0.0 111.737 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.71 77.61 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 128.113 2.565 . . . . 0.0 113.214 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -63.51 -29.06 70.39 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 126.456 1.903 . . . . 0.0 114.075 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -83.96 -40.26 18.7 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.571 -1.33 . . . . 0.0 112.172 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 56' ' ' LEU . 9.8 tp -68.16 -41.33 81.68 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.737 -1.227 . . . . 0.0 113.642 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.58 89.78 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.327 1.451 . . . . 0.0 110.243 170.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.741 0 N-CA-C 121.649 3.42 . . . . 0.0 121.649 161.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo . . . . . 0 N--CA 1.435 -1.956 0 N-CA-C 110.761 -0.515 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 t -131.57 160.84 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.2 p -129.88 163.62 25.93 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.23 -1.544 . . . . 0.0 108.048 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.67 -32.35 29.35 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 171.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -68.54 -38.51 80.89 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.926 1.691 . . . . 0.0 112.074 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.91 -39.38 76.21 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.287 -1.508 . . . . 0.0 111.174 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 t -62.29 -45.35 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 126.472 1.909 . . . . 0.0 110.826 172.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.5 -54.66 43.16 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.107 1.763 . . . . 0.0 115.511 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -59.96 -37.97 81.13 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 125.053 1.341 . . . . 0.0 113.193 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -68.39 -48.6 64.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 119.36 0.982 . . . . 0.0 112.767 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -75.28 -22.94 57.4 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.355 -2.09 . . . . 0.0 112.217 -175.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.69 41.19 6.49 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 120.459 -1.401 . . . . 0.0 111.888 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.01 -174.07 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 125.107 1.363 . . . . 0.0 109.638 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 84.8 p -90.73 165.26 13.77 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 122.637 1.208 . . . . 0.0 111.331 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . 0.26 17.7 p90 -66.13 -39.28 89.76 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.105 -2.247 . . . . 0.0 114.172 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -74.42 -17.8 60.74 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.978 -1.701 . . . . 0.0 114.585 172.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 55.3 m -67.87 -34.31 76.43 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.791 -1.818 . . . . 0.0 110.777 173.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.85 -59.98 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 O-C-N 120.836 -1.165 . . . . 0.0 112.389 170.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -57.61 -32.62 67.39 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -51.75 -31.27 25.98 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.856 1.662 . . . . 0.0 115.016 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.89 -50.16 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.204 -1.56 . . . . 0.0 109.668 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.9 t -48.5 -58.74 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 127.915 2.486 . . . . 0.0 114.862 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -94.83 -6.66 42.32 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 121.028 -1.045 . . . . 0.0 112.884 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 67.0 83.06 0.17 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.53 1.532 . . . . 0.0 113.569 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.61 -156.97 0.51 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.933 -1.104 . . . . 0.0 110.764 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.1 p -100.83 168.94 9.33 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.727 -1.233 . . . . 0.0 111.231 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . 0.314 7.0 t60 47.68 48.96 16.91 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.744 2.418 . . . . 0.0 115.712 -174.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -75.63 118.78 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 O-C-N 120.709 -1.245 . . . . 0.0 110.873 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.0 t -81.99 129.63 34.84 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.624 -1.922 . . . . 0.0 109.648 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.36 99.59 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.465 1.506 . . . . 0.0 114.398 -176.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -61.22 -49.76 75.82 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.678 1.991 . . . . 0.0 112.924 173.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 21.7 m -64.7 -41.49 95.99 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.943 -1.723 . . . . 0.0 113.975 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -47.25 -50.58 20.93 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.674 -1.891 . . . . 0.0 114.474 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.15 -13.73 62.23 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -85.69 -41.96 14.69 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.719 -1.238 . . . . 0.0 108.733 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.26 -43.15 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.39 0 O-C-N 121.483 -0.76 . . . . 0.0 111.992 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -52.52 -36.17 54.77 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.011 1.325 . . . . 0.0 112.673 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.92 73.1 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -65.14 -42.5 93.77 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.536 -1.977 . . . . 0.0 114.538 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 33.4 mtt -53.57 -33.61 55.37 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 124.855 1.262 . . . . 0.0 113.621 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.5 37.69 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -173.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.74 -50.99 25.13 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.898 1.809 . . . . 0.0 112.526 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.04 -29.83 34.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.271 1.828 . . . . 0.0 112.476 -176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 75.05 64.61 0.07 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.531 2.332 . . . . 0.0 109.866 -176.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.99 132.35 37.5 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 116.247 1.943 . . . . 0.0 116.247 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 27.6 mm -100.32 103.2 21.76 Favored Pre-proline 0 N--CA 1.43 -1.437 0 C-N-CA 126.801 2.041 . . . . 0.0 106.567 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -63.86 114.14 2.47 Favored 'Trans proline' 0 C--N 1.299 -2.032 0 CA-C-N 123.424 2.259 . . . . 0.0 115.098 153.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -89.89 123.89 34.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.304 1.041 . . . . 0.0 109.47 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -80.88 -21.93 40.23 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.623 -1.923 . . . . 0.0 113.562 -176.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 t -59.38 -46.63 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 126.284 1.834 . . . . 0.0 111.388 172.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.86 70.26 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.916 2.487 . . . . 0.0 113.376 173.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -81.66 -22.78 37.32 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 118.901 -2.375 . . . . 0.0 111.323 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.85 -39.88 12.08 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.551 1.14 . . . . 0.0 113.126 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 tp -68.16 -39.5 82.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.623 -1.923 . . . . 0.0 114.204 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.84 -40.72 75.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.499 1.52 . . . . 0.0 110.04 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.809 0 N-CA-C 121.464 3.346 . . . . 0.0 121.464 162.84 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 N--CA 1.434 -2.013 0 N-CA-C 110.727 -0.528 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.06 161.98 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p -122.35 165.36 16.4 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.817 -1.177 . . . . 0.0 110.056 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.4 -33.04 28.53 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.331 2.252 . . . . 0.0 115.525 170.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -72.46 -37.62 68.46 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.547 1.539 . . . . 0.0 112.186 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -72.15 -35.07 68.95 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.38 -1.45 . . . . 0.0 112.379 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 t -67.39 -44.48 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.817 2.447 . . . . 0.0 110.228 170.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -52.55 64.18 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.762 1.625 . . . . 0.0 114.57 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -60.32 -34.98 74.58 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.963 1.705 . . . . 0.0 114.303 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -70.42 -45.95 64.87 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.896 -1.753 . . . . 0.0 113.582 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -76.81 -24.94 52.77 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.229 -1.544 . . . . 0.0 111.639 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.13 38.09 4.68 Favored Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 125.558 1.551 . . . . 0.0 113.408 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.82 -177.96 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 124.3 1.04 . . . . 0.0 110.561 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.1 t -82.77 155.82 24.03 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 122.564 1.173 . . . . 0.0 110.921 169.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -66.84 -26.52 66.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.812 -1.805 . . . . 0.0 113.214 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -72.35 -35.16 68.46 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.443 -1.411 . . . . 0.0 111.318 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.4 m -61.28 -41.92 97.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.84 1.256 . . . . 0.0 111.641 173.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.78 -52.46 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 173.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -50.57 -44.27 56.66 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.648 1.979 . . . . 0.0 114.908 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 -62.19 -15.51 46.92 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.53 -53.6 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.219 -1.551 . . . . 0.0 110.092 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.2 t -48.21 -55.77 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 131.21 3.804 . . . . 0.0 114.769 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -88.85 6.42 39.19 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.64 -1.288 . . . . 0.0 113.695 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 58.31 74.92 0.41 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 127.725 2.41 . . . . 0.0 115.608 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.05 174.57 7.82 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 121.094 -1.004 . . . . 0.0 111.511 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -71.9 -49.15 40.38 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -75.58 75.46 2.6 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -174.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.4 t -122.12 110.61 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 126.292 1.837 . . . . 0.0 109.535 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.0 p -90.1 6.52 42.12 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.772 -1.205 . . . . 0.0 113.595 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.07 -43.53 0.56 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 174.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -40.55 -51.81 2.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 128.807 2.843 . . . . 0.0 114.485 -175.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.7 m -88.43 -37.64 15.67 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 113.827 -1.533 . . . . 0.0 111.503 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -64.42 -24.88 67.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.733 -1.854 . . . . 0.0 115.476 -173.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -56.71 -28.97 61.93 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 168.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -86.48 -33.62 20.3 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.845 1.258 . . . . 0.0 109.583 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.94 -43.14 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 124.876 1.27 . . . . 0.0 111.888 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.52 -25.57 68.31 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.406 1.082 . . . . 0.0 111.702 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.77 -32.44 40.96 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 123.89 0.876 . . . . 0.0 112.844 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -63.7 -46.05 87.24 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 119.335 -2.103 . . . . 0.0 113.528 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 ptp -64.94 -12.43 49.56 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.69 -1.256 . . . . 0.0 113.349 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.52 -42.25 10.94 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.825 -1.172 . . . . 0.0 112.891 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.65 -58.92 4.58 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-O 123.512 1.625 . . . . 0.0 112.278 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.92 -31.85 71.91 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.527 2.331 . . . . 0.0 113.74 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.256 1.0 OUTLIER 71.24 70.97 0.18 Allowed 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.679 2.392 . . . . 0.0 109.732 -176.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -59.58 139.29 57.29 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.905 1.682 . . . . 0.0 114.816 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -107.88 99.2 29.01 Favored Pre-proline 0 N--CA 1.431 -1.4 0 N-CA-C 104.004 -2.591 . . . . 0.0 104.004 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -62.13 116.13 3.28 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 CA-C-N 122.836 2.049 . . . . 0.0 116.23 155.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -84.92 123.44 30.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.271 1.428 . . . . 0.0 109.818 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.18 -18.84 48.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.508 -2.62 . . . . 0.0 113.412 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.32 -40.64 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 119.275 -2.141 . . . . 0.0 110.241 174.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.53 69.78 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.825 2.45 . . . . 0.0 113.354 173.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -83.42 -23.98 32.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.011 -1.68 . . . . 0.0 113.093 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -84.5 -49.15 8.88 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 -175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 tp -64.44 -43.76 93.26 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.325 -1.484 . . . . 0.0 112.243 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.68 -44.66 57.85 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.224 3.01 . . . . 0.0 113.288 168.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.742 0 N-CA-C 117.055 1.582 . . . . 0.0 117.055 168.583 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo . . . . . 0 N--CA 1.435 -1.958 0 N-CA-C 108.556 -1.363 . . . . 0.0 108.556 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 t -126.53 170.32 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 28.1 p -129.59 163.04 26.86 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.8 -32.0 29.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.46 1.904 . . . . 0.0 115.367 170.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -71.31 -36.68 71.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.209 1.804 . . . . 0.0 112.413 175.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -75.71 -31.08 59.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.532 -1.355 . . . . 0.0 111.028 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 t -68.07 -47.04 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 126.807 2.043 . . . . 0.0 110.162 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.58 -52.75 62.69 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -58.43 -36.55 73.8 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.112 1.365 . . . . 0.0 114.274 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -70.08 -44.53 68.9 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.677 -1.264 . . . . 0.0 113.868 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -77.62 -18.83 56.39 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.197 -2.189 . . . . 0.0 112.998 -177.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.31 16.18 Favored Glycine 0 N--CA 1.429 -1.769 0 C-N-CA 125.948 1.737 . . . . 0.0 113.937 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.1 m -122.34 -174.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 125.344 1.457 . . . . 0.0 110.782 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.3 t -92.66 154.71 18.19 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.295 1.038 . . . . 0.0 110.056 171.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -59.4 -31.17 69.01 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 126.804 2.042 . . . . 0.0 114.413 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -69.89 -33.72 72.59 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 120.339 -1.475 . . . . 0.0 111.617 174.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -65.86 -42.84 89.88 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.532 1.533 . . . . 0.0 110.869 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.72 -51.87 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 125.465 1.506 . . . . 0.0 114.387 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.0 t -51.99 -40.87 61.63 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.861 1.664 . . . . 0.0 114.872 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -67.36 -8.28 31.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.41 -54.08 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 119.552 -1.968 . . . . 0.0 109.098 174.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.0 t -46.7 -55.06 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 130.289 3.436 . . . . 0.0 114.501 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -90.95 13.54 16.33 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.089 -2.257 . . . . 0.0 113.524 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 53.66 77.02 0.19 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.553 2.341 . . . . 0.0 114.45 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.83 179.0 7.12 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-O 122.67 1.224 . . . . 0.0 111.288 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -82.38 -45.39 14.92 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.214 -1.554 . . . . 0.0 112.665 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -74.55 71.42 1.85 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.68 108.86 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 125.864 1.665 . . . . 0.0 110.72 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.3 p -87.76 8.08 27.35 Favored 'General case' 0 N--CA 1.428 -1.537 0 O-C-N 120.434 -1.416 . . . . 0.0 114.456 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.87 -47.61 0.65 Allowed 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 119.734 3.235 . . . . 0.0 119.734 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -42.59 -53.04 4.59 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.768 2.427 . . . . 0.0 114.309 -173.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 12.4 m -87.27 -35.56 18.41 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.699 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -65.3 -27.88 68.93 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.385 -2.072 . . . . 0.0 114.495 -174.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -54.46 -28.28 43.41 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 169.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -89.08 -33.25 17.18 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.741 1.616 . . . . 0.0 109.958 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 44.6 t -64.43 -43.72 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 124.222 1.009 . . . . 0.0 111.903 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.05 -31.54 70.08 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.625 1.17 . . . . 0.0 111.909 175.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.92 67.85 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.895 -1.128 . . . . 0.0 112.307 172.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -62.09 -49.21 76.83 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.499 -2.001 . . . . 0.0 114.296 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 3.1 ptp -63.33 -16.36 60.16 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 124.439 1.096 . . . . 0.0 113.096 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.65 -44.6 11.72 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 124.353 1.061 . . . . 0.0 113.306 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.11 -56.52 16.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 123.438 1.59 . . . . 0.0 113.444 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.14 -27.58 63.66 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.79 2.036 . . . . 0.0 113.353 -177.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.87 67.28 0.23 Allowed 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 128.488 2.715 . . . . 0.0 109.924 -176.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -57.07 137.31 55.94 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.799 2.039 . . . . 0.0 114.578 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -108.44 99.7 34.16 Favored Pre-proline 0 N--CA 1.429 -1.485 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -64.29 112.74 1.99 Allowed 'Trans proline' 0 C--N 1.3 -1.995 0 N-CA-C 116.678 1.761 . . . . 0.0 116.678 158.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -83.75 128.96 34.91 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.111 1.364 . . . . 0.0 112.146 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -83.23 -26.5 30.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.958 -1.714 . . . . 0.0 113.52 -173.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.81 -40.18 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 O-C-N 119.847 -1.783 . . . . 0.0 110.488 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.35 68.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 128.066 2.547 . . . . 0.0 113.226 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -86.49 -25.79 24.95 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.233 -1.542 . . . . 0.0 112.973 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.99 -46.78 12.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 tp -66.11 -40.05 90.43 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 120.05 1.296 . . . . 0.0 111.848 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.67 -39.38 73.68 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.115 2.966 . . . . 0.0 113.16 170.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.736 0 N-CA-C 118.854 2.301 . . . . 0.0 118.854 170.675 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 CA--C 1.49 -1.357 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -101.01 103.45 25.34 Favored Pre-proline 0 N--CA 1.429 -1.476 0 CA-C-O 115.362 -2.256 . . . . 0.0 106.778 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -58.56 152.47 55.12 Favored 'Trans proline' 0 N--CA 1.434 -2.021 0 CA-C-N 124.622 2.686 . . . . 0.0 118.454 156.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -128.85 166.52 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 129.471 3.109 . . . . 0.0 103.182 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.5 p -123.38 158.89 30.08 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.36 -1.463 . . . . 0.0 110.194 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -48.84 -32.73 9.27 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.249 1.82 . . . . 0.0 115.347 168.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -71.65 -40.67 69.53 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.734 1.614 . . . . 0.0 111.964 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -65.04 -42.93 93.88 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.55 1.54 . . . . 0.0 110.562 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.1 t -63.45 -44.7 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.705 -1.872 . . . . 0.0 113.048 173.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.37 77.92 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.291 1.436 . . . . 0.0 114.058 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.49 -42.42 92.1 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 126.296 1.838 . . . . 0.0 112.959 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -64.82 -52.14 58.36 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.008 -1.682 . . . . 0.0 112.989 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -72.61 -17.17 61.71 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.611 -1.931 . . . . 0.0 113.134 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.16 34.86 16.43 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 126.308 1.909 . . . . 0.0 113.151 177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.98 -170.0 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.798 1.639 . . . . 0.0 111.489 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 t -93.89 163.01 13.68 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.388 -1.445 . . . . 0.0 108.77 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -72.68 -24.87 61.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.329 -2.107 . . . . 0.0 112.557 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -78.17 -24.76 47.11 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 121.023 -1.048 . . . . 0.0 110.973 172.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -65.58 -43.49 89.58 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.435 -1.416 . . . . 0.0 110.087 172.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.18 -59.2 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.562 1.545 . . . . 0.0 113.828 172.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.6 p -59.33 -21.4 59.72 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -38.14 79.81 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.292 -1.505 . . . . 0.0 113.703 168.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.9 -44.76 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.799 -1.188 . . . . 0.0 110.386 -174.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 t -65.0 -62.07 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.891 2.476 . . . . 0.0 114.082 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -104.58 21.15 17.3 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.622 1.969 . . . . 0.0 115.913 -174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 60.01 58.83 2.59 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 118.465 2.765 . . . . 0.0 118.465 169.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.4 -171.39 3.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.647 -1.283 . . . . 0.0 110.846 174.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 m -108.34 -64.93 1.17 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.467 ' CE1' " H3'" ' C' ' 3' ' ' ' DA' . 24.2 m-70 -84.71 74.95 10.37 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -164.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -126.29 -100.22 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 124.714 1.206 . . . . 0.0 107.864 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 81.2 p 178.59 170.49 0.82 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.978 2.511 . . . . 0.0 107.607 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.78 -27.03 23.83 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.967 -1.083 . . . . 0.0 110.594 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.404 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -58.53 -58.7 7.37 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.326 2.25 . . . . 0.0 113.101 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -72.54 -29.25 63.41 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.743 1.217 . . . . 0.0 113.291 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -43.65 -54.48 4.99 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.23 -17.55 64.59 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.962 2.105 . . . . 0.0 116.508 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -81.61 -36.35 29.02 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.088 -1.632 . . . . 0.0 108.393 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.3 t -65.3 -40.98 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 111.27 171.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.24 -30.0 64.26 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.88 -34.5 73.64 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.331 1.452 . . . . 0.0 113.139 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -70.7 -42.83 70.12 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.5 mtt -50.77 -35.13 30.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.58 -29.87 52.26 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -78.78 -65.95 0.92 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.772 1.229 . . . . 0.0 112.981 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -21.64 59.61 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.201 1.4 . . . . 0.0 113.027 -173.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.96 71.16 0.11 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.936 2.894 . . . . 0.0 110.511 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -64.23 111.04 2.42 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.78 106.47 58.81 Favored Pre-proline 0 N--CA 1.43 -1.432 1 N-CA-C 99.632 -4.21 . . . . 0.0 99.632 168.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -66.97 162.3 38.66 Favored 'Trans proline' 0 N--CA 1.434 -2.016 0 C-N-CA 122.859 2.373 . . . . 0.0 117.316 156.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.6 125.05 35.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.491 1.516 . . . . 0.0 109.994 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -70.07 -23.21 63.04 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.786 -1.196 . . . . 0.0 111.639 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.19 -43.73 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 126.205 1.802 . . . . 0.0 112.462 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.61 92.75 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.523 2.329 . . . . 0.0 112.425 172.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -63.59 -26.2 68.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.436 1.894 . . . . 0.0 113.741 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -88.56 -46.87 8.73 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.047 -1.658 . . . . 0.0 112.702 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -63.6 -45.94 88.07 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.469 -1.395 . . . . 0.0 114.712 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.58 36.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.55 45.18 0.1 Allowed Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 127.322 2.391 . . . . 0.0 117.822 -175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt 53.94 138.9 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 129.505 3.122 . . . . 0.0 118.531 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -69.67 158.48 35.27 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.06 -2.9 . . . . 0.0 113.033 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 t -83.41 136.5 34.3 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.23 -2.169 . . . . 0.0 110.982 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 C--O 1.26 1.636 0 C-N-CA 124.758 1.223 . . . . 0.0 112.709 -176.094 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 CA--C 1.49 -1.342 0 CA-C-O 119.243 -0.408 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -112.53 105.02 56.2 Favored Pre-proline 0 N--CA 1.43 -1.458 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -59.54 151.96 65.5 Favored 'Trans proline' 0 N--CA 1.433 -2.039 0 CA-C-N 124.247 2.553 . . . . 0.0 118.477 156.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 24.7 t -128.38 166.06 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 103.087 -2.931 . . . . 0.0 103.087 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.7 p -125.15 161.12 27.54 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.618 -1.926 . . . . 0.0 109.925 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -49.07 -31.55 8.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 127.022 2.129 . . . . 0.0 116.096 169.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -75.85 -32.09 59.61 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.218 1.807 . . . . 0.0 112.394 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -72.05 -40.65 68.2 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.769 2.028 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 t -66.14 -45.08 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.944 2.098 . . . . 0.0 112.625 172.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.94 79.58 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.172 1.389 . . . . 0.0 114.555 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.04 -41.32 78.42 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.464 1.906 . . . . 0.0 114.195 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.7 -47.57 66.09 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.243 -1.535 . . . . 0.0 113.45 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -75.36 -18.92 59.85 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.304 -1.497 . . . . 0.0 113.473 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.32 32.39 19.94 Favored Glycine 0 N--CA 1.43 -1.704 0 O-C-N 120.327 -1.483 . . . . 0.0 112.875 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -123.57 -174.51 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.992 1.317 . . . . 0.0 111.697 -176.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.4 t -90.78 164.18 14.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.514 -1.366 . . . . 0.0 109.967 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -74.12 -23.4 59.3 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.595 -2.565 . . . . 0.0 113.371 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -78.71 -21.68 47.74 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.139 0.976 . . . . 0.0 111.559 172.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -67.82 -46.88 70.61 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.798 -1.189 . . . . 0.0 110.403 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.4 ' HA ' HG13 ' B' ' 38' ' ' VAL . 69.9 t -56.13 -58.5 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 126.156 1.782 . . . . 0.0 113.707 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 81.1 p -62.27 -19.4 63.19 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 -36.71 82.54 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.338 -0.851 . . . . 0.0 112.943 167.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.25 -47.24 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 123.282 1.515 . . . . 0.0 109.981 -174.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.25 -65.54 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 128.717 2.807 . . . . 0.0 114.241 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -104.32 25.85 9.62 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -173.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 55.48 66.12 1.3 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 170.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.14 -172.8 2.43 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.71 -1.244 . . . . 0.0 110.825 175.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.3 m -102.17 -73.37 0.66 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -80.07 79.53 6.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.065 2.987 . . . . 0.0 119.065 -162.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.21 -96.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 96.0 p 175.27 167.8 0.32 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 127.27 2.228 . . . . 0.0 107.053 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.73 -26.89 27.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.483 -1.385 . . . . 0.0 111.049 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -57.65 -60.58 3.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.191 2.596 . . . . 0.0 112.616 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 24.5 m -72.05 -28.92 63.66 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.679 -1.263 . . . . 0.0 114.169 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 42.1 ttp85 -44.02 -53.53 6.21 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.532 1.933 . . . . 0.0 115.134 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.52 -19.1 64.5 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.1 -35.24 25.79 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.024 -1.673 . . . . 0.0 108.953 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.4 HG13 ' HA ' ' B' ' 20' ' ' VAL . 14.1 t -65.86 -40.06 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.493 -1.379 . . . . 0.0 112.555 170.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -57.81 -26.97 62.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.2 -40.15 68.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.661 1.184 . . . . 0.0 111.967 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -65.5 -44.85 85.76 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.328 -2.107 . . . . 0.0 114.61 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 44.9 mtt -51.11 -29.95 14.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.019 2.127 . . . . 0.0 116.104 171.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.09 -37.73 23.43 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.459 1.504 . . . . 0.0 112.698 -173.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.2 -63.44 1.11 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.479 1.133 . . . . 0.0 112.943 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -22.35 50.21 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.299 1.047 . . . . 0.0 112.531 -173.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 72.56 71.21 0.14 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.501 1.921 . . . . 0.0 109.773 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.46 115.03 4.26 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mp -108.56 108.05 60.62 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 100.757 -3.794 . . . . 0.0 100.757 167.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -68.38 158.65 56.68 Favored 'Trans proline' 0 C--N 1.3 -2.008 0 C-N-CA 123.287 2.658 . . . . 0.0 117.666 156.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -89.12 120.72 30.76 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 113.512 -1.676 . . . . 0.0 108.301 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -66.64 -24.7 66.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.602 -1.311 . . . . 0.0 112.267 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.54 -45.47 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.725 1.61 . . . . 0.0 112.045 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.13 80.04 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.477 2.311 . . . . 0.0 112.712 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -69.83 -23.89 63.37 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.704 -1.873 . . . . 0.0 113.265 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -91.6 -43.04 9.87 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.872 -2.393 . . . . 0.0 114.003 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.1 tp -62.1 -52.11 65.2 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.411 -1.431 . . . . 0.0 113.048 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.444 ' C ' ' H ' ' B' ' 59' ' ' LYS . . . -80.87 -17.25 51.27 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 176.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.88 36.23 0.07 OUTLIER Glycine 0 N--CA 1.43 -1.73 0 C-N-CA 127.899 2.666 . . . . 0.0 118.762 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.444 ' H ' ' C ' ' B' ' 57' ' ' ALA . 34.6 ttpt 58.63 143.32 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.53 3.132 . . . . 0.0 117.313 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -75.38 157.38 34.3 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.356 -2.09 . . . . 0.0 111.237 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.6 t -79.94 132.16 35.99 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.236 -1.54 . . . . 0.0 112.819 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 C--O 1.26 1.624 0 C-N-CA 126.0 1.72 . . . . 0.0 111.919 -177.587 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O4'-C1'-C2' 102.598 -3.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.914 0 O4'-C1'-C2' 102.751 -3.044 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.467 " H3'" ' CE1' ' A' ' 29' ' ' HIS . . . . . . . . 0 C3'--C2' 1.538 1.958 0 O5'-C5'-C4' 114.111 2.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.899 1 O5'-C5'-C4' 116.092 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 1 P-O3'-C3' 126.804 5.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.874 0 O5'-C5'-C4' 114.128 2.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.873 0 OP1-P-OP2 114.945 -3.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.851 1 O5'-C5'-C4' 115.865 4.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.901 2 O4'-C1'-C2' 100.898 -4.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O5'-C5'-C4' 114.607 3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . 0.504 ' C5 ' ' C6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.917 0 O4'-C1'-N19 106.045 -2.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.504 ' C6 ' ' C5 ' ' C' ' 11' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . 0.468 ' C6 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.89 3 O4'-C1'-N19 113.339 6.924 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 OP1-P-OP2 114.126 -3.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.851 0 O5'-C5'-C4' 114.887 3.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.944 0 OP1-P-OP2 115.718 -2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 O5'-C5'-C4' 114.463 3.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 P-O5'-C5' 115.776 -3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 OP1-P-OP2 114.676 -3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.906 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 0 O4'-C1'-N19 109.712 2.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.857 0 C4'-C3'-C2' 99.275 -3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 0 C3'-C2'-C1' 97.813 -3.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 0 O5'-C5'-C4' 114.221 2.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.939 0 O5'-C5'-C4' 114.4 3.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.849 1 P-O5'-C5' 113.986 -4.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 OP1-P-OP2 114.143 -3.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.817 0 OP1-P-OP2 116.126 -2.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.888 0 OP1-P-OP2 115.266 -2.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 OP1-P-OP2 115.845 -2.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.912 2 O4'-C1'-N19 111.929 5.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 OP1-P-OP2 114.862 -3.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.912 0 C3'-C2'-C1' 106.25 2.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.41 H2'' ' C6 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.905 0 O4'-C1'-N19 110.211 3.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.41 ' C6 ' H2'' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.904 2 O4'-C1'-N19 112.74 6.175 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.974 0 C5'-C4'-C3' 110.804 -2.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.881 1 O5'-C5'-C4' 116.9 4.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.947 0 OP1-P-OP2 114.723 -3.252 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.968 0 O5'-C5'-C4' 113.544 2.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.916 0 O4'-C1'-C2' 102.292 -3.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 O4'-C1'-C2' 103.214 -2.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O4'-C1'-N19 110.566 3.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.902 0 OP1-P-OP2 115.244 -2.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.881 0 C4'-C3'-C2' 99.598 -3.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 CA--C 1.49 -1.36 0 N-CA-C 116.917 2.191 . . . . 0.0 116.917 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -80.58 158.0 71.67 Favored Pre-proline 0 N--CA 1.431 -1.419 0 O-C-N 120.125 -1.609 . . . . 0.0 111.498 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -37.18 146.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.299 -2.039 0 N-CA-C 120.864 3.371 . . . . 0.0 120.864 156.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.2 t -128.52 167.31 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.9 p -137.27 162.78 32.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.826 -1.796 . . . . 0.0 107.572 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.74 -30.03 42.4 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 171.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -69.09 -39.27 79.11 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 127.392 2.277 . . . . 0.0 112.873 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -69.56 -38.37 77.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.986 1.314 . . . . 0.0 110.89 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.03 -45.31 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.538 2.335 . . . . 0.0 111.198 172.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.55 -55.04 39.92 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.936 1.694 . . . . 0.0 114.368 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.38 -36.97 76.77 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.664 1.586 . . . . 0.0 114.031 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -66.49 -49.78 65.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.123 0.969 . . . . 0.0 112.531 173.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -74.05 -27.1 60.76 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.987 -1.696 . . . . 0.0 113.008 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.39 29.05 6.48 Favored Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 125.934 1.73 . . . . 0.0 114.124 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.07 -170.53 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 125.134 1.374 . . . . 0.0 111.467 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 t -92.89 160.51 14.88 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.793 1.282 . . . . 0.0 108.737 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -66.21 -32.66 74.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.493 -2.005 . . . . 0.0 113.104 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -76.5 -18.23 58.85 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 121.087 -1.008 . . . . 0.0 112.298 173.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.2 m -67.73 -45.58 74.59 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.369 -1.457 . . . . 0.0 110.369 173.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.3 t -55.27 -58.16 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 C-N-CA 125.666 1.586 . . . . 0.0 115.25 178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.8 p -58.14 -31.22 66.99 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.7 -17.08 64.45 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -90.56 -55.77 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.854 -1.778 . . . . 0.0 108.113 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 60.6 t -49.63 -50.93 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 129.368 3.067 . . . . 0.0 114.831 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -98.84 12.19 36.48 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.859 1.264 . . . . 0.0 112.44 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 56.09 74.7 0.37 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 127.162 2.185 . . . . 0.0 116.318 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.92 175.27 5.67 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.723 1.209 . . . . 0.0 110.574 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 m -72.09 -77.38 0.1 Allowed 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -73.81 63.05 0.86 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 119.212 3.042 . . . . 0.0 119.212 -168.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 t -131.39 110.63 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.677 -1.265 . . . . 0.0 107.594 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -63.06 145.43 55.46 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.026 1.33 . . . . 0.0 113.07 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.84 -42.8 37.52 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 126.438 1.895 . . . . 0.0 115.995 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -54.83 -36.9 65.49 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.457 1.903 . . . . 0.0 113.979 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 m -75.69 -49.67 17.64 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.474 -1.391 . . . . 0.0 110.788 175.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -53.71 -44.63 69.97 Favored 'General case' 0 CA--C 1.489 -1.381 0 O-C-N 120.799 -1.188 . . . . 0.0 113.743 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -58.13 -22.29 50.31 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -92.1 -39.16 11.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.033 1.333 . . . . 0.0 109.162 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 t -67.93 -41.26 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 119.731 -1.856 . . . . 0.0 113.002 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -65.54 -17.71 64.77 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.62 -1.3 . . . . 0.0 114.085 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.82 -34.37 45.34 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 124.592 1.157 . . . . 0.0 110.7 170.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -67.43 -45.05 77.2 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.06 -1.65 . . . . 0.0 113.69 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.4 mtt -53.55 -30.64 42.9 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.188 1.395 . . . . 0.0 113.961 168.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.37 -28.67 26.82 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -78.28 -55.87 4.91 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 124.417 2.056 . . . . 0.0 110.031 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -79.17 -12.99 59.99 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 113.456 -1.702 . . . . 0.0 114.972 -174.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.417 0.6 OUTLIER 56.45 47.81 18.1 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.444 2.697 . . . . 0.0 114.869 -177.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -37.16 114.52 0.33 Allowed 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.432 2.293 . . . . 0.0 116.395 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.75 106.95 30.76 Favored Pre-proline 0 N--CA 1.43 -1.453 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -46.65 132.51 16.58 Favored 'Trans proline' 0 N--CA 1.434 -2.012 0 N-CA-C 120.201 3.116 . . . . 0.0 120.201 157.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -88.05 103.24 15.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -72.45 -13.07 61.35 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.449 -2.032 . . . . 0.0 114.68 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 t -75.66 -42.15 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.883 2.073 . . . . 0.0 110.332 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.35 -30.79 71.43 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.216 2.206 . . . . 0.0 112.942 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -79.6 -16.31 56.09 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.117 -1.614 . . . . 0.0 112.997 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -89.79 -51.17 5.64 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.612 -1.305 . . . . 0.0 111.606 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tp -61.31 -55.0 36.75 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 124.909 1.284 . . . . 0.0 113.788 -175.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.83 -5.73 45.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.41 51.05 0.04 OUTLIER Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 128.288 2.852 . . . . 0.0 119.738 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -72.09 165.45 24.3 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.994 1.718 . . . . 0.0 114.227 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -102.02 119.8 39.38 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.353 -1.467 . . . . 0.0 113.347 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 p -90.86 -72.21 0.59 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.541 -1.35 . . . . 0.0 109.298 172.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 C--O 1.26 1.648 0 C-N-CA 125.949 1.7 . . . . 0.0 109.993 177.656 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 CA--C 1.491 -1.314 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.25 174.8 5.06 Favored Pre-proline 0 N--CA 1.43 -1.455 0 O-C-N 119.664 -1.897 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -56.31 161.56 9.05 Favored 'Trans proline' 0 N--CA 1.434 -2.006 0 C-N-CA 123.549 2.832 . . . . 0.0 117.477 156.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 t -137.0 165.97 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 103.055 -2.943 . . . . 0.0 103.055 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 48.5 p -136.78 163.65 30.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.148 -1.595 . . . . 0.0 107.513 174.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.98 -28.24 50.16 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 170.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -69.13 -37.61 78.41 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 126.979 2.112 . . . . 0.0 113.427 174.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -70.13 -42.28 72.81 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.141 1.776 . . . . 0.0 110.019 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.04 -47.27 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.032 2.133 . . . . 0.0 110.529 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -54.29 44.16 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.576 1.55 . . . . 0.0 114.119 175.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.9 -35.41 79.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -63.8 -50.55 68.5 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.813 0.845 . . . . 0.0 112.969 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' B' ' 41' ' ' ALA . . . -76.48 -29.88 57.05 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 121.314 -0.866 . . . . 0.0 112.473 -174.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.8 43.41 2.66 Favored Glycine 0 N--CA 1.43 -1.735 0 C-N-CA 124.892 1.234 . . . . 0.0 112.521 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.43 -164.4 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 125.463 1.505 . . . . 0.0 108.873 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -102.96 168.92 8.89 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.403 -1.435 . . . . 0.0 108.769 173.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -70.8 -34.61 71.94 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 118.982 -2.324 . . . . 0.0 112.481 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.39 -20.62 60.7 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 123.379 0.672 . . . . 0.0 112.271 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -66.31 -49.59 66.52 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.287 -1.508 . . . . 0.0 110.675 174.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 96.1 t -52.27 -60.07 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.4 p -59.28 -29.57 67.68 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.13 -16.49 64.03 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.752 -1.217 . . . . 0.0 114.049 172.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -89.55 -56.35 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.989 -1.694 . . . . 0.0 108.263 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 45.6 t -49.28 -53.52 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 129.159 2.984 . . . . 0.0 115.666 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -92.43 -1.68 56.83 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.237 -1.54 . . . . 0.0 111.899 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 67.24 76.69 0.28 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 127.616 2.366 . . . . 0.0 115.891 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.0 -175.62 3.2 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.352 1.461 . . . . 0.0 111.04 173.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.8 m -82.68 -72.93 0.42 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 -173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -76.77 65.28 2.48 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -168.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -134.61 109.88 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 170.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.0 t -63.0 142.75 58.26 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.808 1.243 . . . . 0.0 112.075 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.16 -44.88 8.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.852 2.461 . . . . 0.0 116.538 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -56.4 -36.6 69.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 126.979 2.112 . . . . 0.0 114.189 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.6 m -75.2 -49.56 19.04 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.653 -1.279 . . . . 0.0 110.325 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 -53.01 -44.89 67.61 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.484 -1.385 . . . . 0.0 113.824 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -57.09 -23.9 50.17 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -91.88 -36.89 13.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.86 1.264 . . . . 0.0 109.229 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.18 -44.13 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 O-C-N 120.588 -1.32 . . . . 0.0 111.648 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.31 -26.48 68.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 112.28 176.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.42 -32.7 66.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.344 -1.473 . . . . 0.0 112.09 170.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.498 ' HB3' ' HB1' ' B' ' 13' ' ' ALA . . . -69.99 -40.81 75.1 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.441 -1.412 . . . . 0.0 114.067 177.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 32.0 mtt -55.09 -35.27 64.4 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.18 1.392 . . . . 0.0 113.361 168.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.12 -29.38 38.93 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -171.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -78.82 -52.39 8.41 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-O 124.308 2.004 . . . . 0.0 111.022 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -80.57 -19.0 46.61 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 113.579 -1.646 . . . . 0.0 113.903 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.519 0.5 OUTLIER 61.02 57.91 2.42 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.255 2.222 . . . . 0.0 113.394 -175.251 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -48.31 115.24 1.14 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.088 2.155 . . . . 0.0 116.078 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mp -93.88 114.4 63.01 Favored Pre-proline 0 N--CA 1.43 -1.437 0 N-CA-C 103.716 -2.698 . . . . 0.0 103.716 173.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -55.85 132.96 55.16 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 C-N-CA 123.542 2.828 . . . . 0.0 116.607 154.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -91.0 105.11 17.6 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 170.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -71.95 -18.6 62.0 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.357 -2.089 . . . . 0.0 114.118 -172.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 19.4 t -68.66 -40.39 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 126.503 1.921 . . . . 0.0 111.245 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.19 77.83 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.153 2.181 . . . . 0.0 113.165 172.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.01 -20.62 60.27 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.854 -1.779 . . . . 0.0 113.032 174.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -86.04 -54.36 4.53 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.62 -1.3 . . . . 0.0 111.95 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.65 -49.57 77.04 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.72 59.79 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.04 51.14 0.06 OUTLIER Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 128.153 2.787 . . . . 0.0 118.881 -170.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -72.61 164.28 26.72 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 125.945 1.698 . . . . 0.0 114.453 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -96.86 122.46 39.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.561 -1.337 . . . . 0.0 113.883 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 15.5 p -95.79 -74.85 0.54 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 20.0 tp . . . . . 0 C--O 1.26 1.65 0 C-N-CA 124.799 1.24 . . . . 0.0 108.704 175.007 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.019 0 O4'-C1'-C2' 102.236 -3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.808 0 O5'-C5'-C4' 115.048 3.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.82 0 O5'-C5'-C4' 113.974 2.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.875 0 O4'-C1'-C2' 102.02 -3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.95 0 OP1-P-OP2 115.792 -2.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 OP1-P-OP2 114.943 -3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.933 0 O5'-C5'-C4' 113.303 2.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.955 0 O5'-C5'-C4' 114.939 3.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.873 0 OP1-P-OP2 114.587 -3.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.849 0 O4'-C1'-C2' 102.195 -3.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.945 0 O5'-C5'-C4' 113.726 2.519 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 OP1-P-OP2 114.837 -3.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 3 O5'-C5'-C4' 116.266 4.333 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.87 0 O4'-C1'-N19 109.804 2.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.836 0 O5'-C5'-C4' 114.751 3.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.944 0 C3'-C2'-C1' 99.294 -2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O5'-C5'-C4' 114.396 2.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 O4'-C1'-C2' 102.077 -3.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.948 0 O4'-C1'-C2' 103.173 -2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.966 0 OP1-P-OP2 115.227 -2.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.912 0 O5'-C5'-C4' 115.55 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.845 0 OP1-P-OP2 115.154 -2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 C3'-C2'-C1' 98.295 -3.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.964 1 O4'-C1'-C2' 101.204 -4.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.845 0 O5'-C5'-C4' 114.43 3.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 O4'-C1'-C2' 102.141 -3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.976 0 OP1-P-OP2 115.589 -2.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.903 0 P-O3'-C3' 123.252 2.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.03 0 O5'-C5'-C4' 114.814 3.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.902 0 O4'-C1'-C2' 102.074 -3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.0 0 P-O3'-C3' 122.98 2.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 P-O5'-C5' 116.688 -2.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.832 0 O5'-C5'-C4' 113.766 2.547 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.816 0 O4'-C1'-C2' 102.833 -2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 2 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.781 0 OP1-P-OP2 116.136 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.016 0 O5'-C5'-C4' 115.2 3.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.866 0 C3'-C2'-C1' 98.913 -2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.822 0 C5'-C4'-C3' 111.137 -2.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.958 1 O4'-C1'-C2' 101.441 -4.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.92 0 O4'-C1'-C2' 102.882 -2.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 0 O5'-C5'-C4' 115.332 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.881 0 O5'-C5'-C4' 114.586 3.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O5'-C5'-C4' 114.33 2.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 CA--C 1.49 -1.349 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.32 141.47 73.73 Favored Pre-proline 0 N--CA 1.43 -1.457 0 O-C-N 119.62 -1.925 . . . . 0.0 109.088 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.21 162.43 33.17 Favored 'Trans proline' 0 N--CA 1.434 -2.011 0 N-CA-C 118.405 2.425 . . . . 0.0 118.405 154.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.6 t -137.33 165.87 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 N-CA-C 101.311 -3.589 . . . . 0.0 101.311 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.8 p -130.2 161.87 30.18 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 119.724 1.147 . . . . 0.0 108.833 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.421 HD22 ' H ' ' A' ' 7' ' ' TYR . 1.1 pt? -48.57 -35.6 13.78 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.395 1.878 . . . . 0.0 115.12 171.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.421 ' H ' HD22 ' A' ' 6' ' ' LEU . 72.9 m-85 -67.58 -39.75 84.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.325 2.25 . . . . 0.0 112.755 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -70.85 -38.14 73.16 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.699 -1.25 . . . . 0.0 111.712 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.16 -45.61 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 C-N-CA 126.468 1.907 . . . . 0.0 110.825 172.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -55.31 35.1 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.633 1.573 . . . . 0.0 114.82 174.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.98 -28.9 69.83 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -69.45 -51.27 37.78 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.09 -1.006 . . . . 0.0 112.076 172.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -73.71 -18.91 60.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.319 -1.488 . . . . 0.0 113.142 -177.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.06 44.81 6.16 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 125.861 1.696 . . . . 0.0 111.754 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.61 178.44 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 125.191 1.396 . . . . 0.0 110.824 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.2 t -80.68 158.79 25.48 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.699 -1.251 . . . . 0.0 110.619 173.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -67.46 -31.34 71.44 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.936 -1.728 . . . . 0.0 113.985 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -77.28 -15.79 59.28 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.005 -1.684 . . . . 0.0 112.086 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.5 m -68.85 -41.53 78.34 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.441 -2.037 . . . . 0.0 110.002 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.81 -56.16 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.184 1.393 . . . . 0.0 113.91 174.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -61.42 -27.49 68.58 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -72.29 -11.51 60.74 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 125.617 1.567 . . . . 0.0 113.781 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -99.84 -49.19 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 119.415 -2.053 . . . . 0.0 109.696 170.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.98 -57.49 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 C-N-CA 127.869 2.468 . . . . 0.0 114.109 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -108.95 -58.5 2.01 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.767 -1.208 . . . . 0.0 112.632 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -93.96 60.21 2.84 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 122.793 1.282 . . . . 0.0 113.394 -172.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.14 90.29 0.87 Allowed 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 118.797 2.888 . . . . 0.0 118.797 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.0 p -162.4 145.51 11.42 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.932 1.293 . . . . 0.0 108.322 170.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.472 ' CE1' " H3'" ' C' ' 3' ' ' ' DA' . 45.9 m-70 58.29 41.31 23.51 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.097 1.359 . . . . 0.0 113.025 -170.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.56 131.35 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 121.042 -1.036 . . . . 0.0 111.514 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -84.75 119.01 24.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.496 -1.378 . . . . 0.0 109.468 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.78 -38.91 83.16 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.281 1.832 . . . . 0.0 115.226 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -63.78 -51.33 65.28 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.959 1.704 . . . . 0.0 111.221 176.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -61.92 -45.79 92.15 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.106 2.162 . . . . 0.0 115.017 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -42.79 -54.51 4.08 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.12 -12.02 60.16 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -88.03 -40.67 13.66 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.824 -1.797 . . . . 0.0 108.946 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.1 t -75.49 -37.57 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.45 -1.406 . . . . 0.0 112.013 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -63.8 -23.21 67.27 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.135 -1.603 . . . . 0.0 112.72 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.96 62.47 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.689 -1.257 . . . . 0.0 112.456 171.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -67.19 -42.88 83.47 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.936 -1.727 . . . . 0.0 114.555 176.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.2 mtt -50.27 -33.45 19.87 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.992 2.117 . . . . 0.0 114.755 168.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.35 -39.09 59.7 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.68 -59.45 2.71 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -22.19 42.63 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.778 1.231 . . . . 0.0 113.569 -174.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 73.71 66.73 0.1 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.494 2.317 . . . . 0.0 112.03 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.66 126.3 26.1 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.8 mm -100.62 113.5 65.59 Favored Pre-proline 0 N--CA 1.43 -1.452 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -54.47 113.17 1.24 Allowed 'Trans proline' 0 N--CA 1.434 -2.007 0 CA-C-N 123.741 2.372 . . . . 0.0 114.569 149.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -84.62 125.7 32.7 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -76.97 -39.12 51.69 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.641 -1.912 . . . . 0.0 112.568 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.4 t -56.78 -43.53 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.963 2.505 . . . . 0.0 112.231 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.53 -28.59 68.54 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.472 2.709 . . . . 0.0 114.167 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -89.4 -17.37 28.93 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.63 -1.918 . . . . 0.0 110.67 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -88.16 -45.76 9.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 tp -65.33 -42.37 93.02 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 121.263 1.847 . . . . 0.0 114.359 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.05 -79.78 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.469 2.708 . . . . 0.0 108.422 169.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.57 7.24 0.03 OUTLIER Glycine 0 N--CA 1.431 -1.696 1 N-CA-C 124.167 4.427 . . . . 0.0 124.167 171.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.275 86.5 tttt 70.02 124.6 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 124.54 2.114 . . . . 0.0 114.857 -176.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -89.3 142.8 27.33 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.097 -1.627 . . . . 0.0 111.951 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.7 p -86.21 153.72 21.82 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-O 123.346 1.546 . . . . 0.0 112.666 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 C--O 1.26 1.639 0 C-N-CA 125.056 1.342 . . . . 0.0 107.509 179.169 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtm . . . . . 0 CA--C 1.49 -1.36 0 N-CA-C 116.431 2.012 . . . . 0.0 116.431 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.47 138.48 63.38 Favored Pre-proline 0 N--CA 1.43 -1.451 0 O-C-N 118.944 -2.348 . . . . 0.0 109.432 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -63.71 160.07 38.34 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 N-CA-C 118.638 2.515 . . . . 0.0 118.638 155.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 29.9 t -137.96 163.01 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 N-CA-C 101.999 -3.334 . . . . 0.0 101.999 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.9 p -127.68 162.7 25.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 120.448 1.476 . . . . 0.0 108.936 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.419 HD22 ' H ' ' B' ' 7' ' ' TYR . 0.9 OUTLIER -51.47 -33.52 31.56 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.065 1.746 . . . . 0.0 115.25 172.496 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.419 ' H ' HD22 ' B' ' 6' ' ' LEU . 71.0 m-85 -68.74 -39.38 80.38 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 127.119 2.168 . . . . 0.0 112.636 176.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.53 -38.17 77.41 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.575 1.55 . . . . 0.0 111.835 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.95 -42.73 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.195 2.198 . . . . 0.0 110.599 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.88 71.99 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.87 -33.56 76.12 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.085 -1.634 . . . . 0.0 114.479 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -67.44 -47.2 70.87 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.075 -2.266 . . . . 0.0 113.324 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -76.72 -19.74 57.34 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.44 -2.038 . . . . 0.0 113.061 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.28 35.23 7.61 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 125.464 1.507 . . . . 0.0 112.092 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m -125.09 179.95 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.262 1.425 . . . . 0.0 110.956 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -84.24 160.34 20.8 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.831 1.252 . . . . 0.0 110.316 173.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -70.02 -33.14 71.62 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.479 -2.013 . . . . 0.0 114.614 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -73.55 -19.02 61.01 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.645 -1.284 . . . . 0.0 112.208 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.2 m -66.32 -42.87 87.58 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.064 -1.647 . . . . 0.0 110.772 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.14 -54.65 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.255 1.422 . . . . 0.0 113.944 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 77.3 p -62.93 -24.8 68.03 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.277 1.954 . . . . 0.0 116.277 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -77.13 -6.24 52.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.861 1.265 . . . . 0.0 113.679 173.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 47.2 t -101.08 -49.86 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 119.609 -1.932 . . . . 0.0 108.332 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.6 -60.49 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 127.775 2.43 . . . . 0.0 113.971 -174.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -106.08 -59.34 1.79 Allowed 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 121.078 -1.013 . . . . 0.0 112.766 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -89.94 56.73 3.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.65 -1.281 . . . . 0.0 113.405 -172.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.74 87.05 0.34 Allowed 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 118.581 2.808 . . . . 0.0 118.581 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.0 p -159.85 144.7 15.07 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.305 1.442 . . . . 0.0 108.426 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.49 ' CE1' " H3'" ' D' ' 3' ' ' ' DA' . 27.8 m-70 58.63 39.15 24.92 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.616 1.566 . . . . 0.0 112.578 -169.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -75.98 131.1 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 O-C-N 120.302 -1.499 . . . . 0.0 112.821 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 27.0 t -82.66 115.81 21.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.072 -1.643 . . . . 0.0 109.328 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -34.81 70.43 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 117.096 2.258 . . . . 0.0 117.096 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -68.68 -48.01 65.02 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.819 1.647 . . . . 0.0 111.6 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 11.8 m -65.08 -44.05 90.2 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.956 1.703 . . . . 0.0 114.145 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -42.24 -54.68 3.6 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.299 1.962 . . . . 0.0 116.299 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.46 -16.46 63.66 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -84.23 -43.3 15.02 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.84 1.305 . . . . 0.0 108.787 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 t -70.79 -40.5 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 120.63 -1.294 . . . . 0.0 112.619 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -65.15 -20.31 66.39 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 121.224 -0.923 . . . . 0.0 112.921 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.68 -30.22 59.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.528 -1.358 . . . . 0.0 112.91 170.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.493 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -70.48 -42.67 71.07 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.394 -2.066 . . . . 0.0 114.361 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 48.6 mtt -51.67 -32.72 30.75 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.402 1.881 . . . . 0.0 113.425 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.05 -37.66 46.29 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -73.41 -57.88 3.7 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 123.09 1.424 . . . . 0.0 112.262 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.91 -21.72 59.05 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.073 1.749 . . . . 0.0 115.708 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 69.44 66.27 0.26 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 127.042 2.137 . . . . 0.0 110.322 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -57.75 126.31 26.84 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.6 mm -99.99 113.61 65.28 Favored Pre-proline 0 N--CA 1.431 -1.406 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 174.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -53.07 111.57 0.7 Allowed 'Trans proline' 0 N--CA 1.434 -1.987 0 CA-C-N 124.417 2.613 . . . . 0.0 115.068 150.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -83.6 126.55 32.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.696 1.236 . . . . 0.0 107.728 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -78.2 -36.78 46.89 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.712 -1.242 . . . . 0.0 112.951 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 24.9 t -61.17 -40.54 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 127.018 2.127 . . . . 0.0 111.773 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.53 -26.48 68.58 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.705 2.402 . . . . 0.0 115.317 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -90.31 -18.66 25.18 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 119.595 -1.941 . . . . 0.0 110.487 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -88.68 -43.94 10.95 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.137 -1.602 . . . . 0.0 115.012 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.53 -42.39 82.81 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.52 -1.987 . . . . 0.0 113.623 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.99 -73.78 0.14 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.039 2.136 . . . . 0.0 109.91 169.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 58.71 -28.41 0.02 OUTLIER Glycine 0 N--CA 1.431 -1.684 1 N-CA-C 124.488 4.555 . . . . 0.0 124.488 171.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt 95.08 127.39 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 131.227 3.811 . . . . 0.0 111.826 -169.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -90.15 138.06 31.83 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.953 1.301 . . . . 0.0 110.729 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -84.28 153.31 23.63 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.281 -1.512 . . . . 0.0 112.936 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.4 tp . . . . . 0 C--O 1.261 1.663 0 C-N-CA 125.38 1.472 . . . . 0.0 108.435 178.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.92 0 C3'-C2'-C1' 97.724 -3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.984 0 O4'-C1'-C2' 102.374 -3.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . 0.472 " H3'" ' CE1' ' A' ' 29' ' ' HIS . . . . . . . . 0 C3'--C2' 1.537 1.859 0 P-O5'-C5' 117.33 -2.231 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.885 1 O5'-C5'-C4' 115.983 4.131 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 O5'-C5'-C4' 114.75 3.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.993 0 O5'-C5'-C4' 114.677 3.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 0 O5'-C5'-C4' 115.302 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.977 0 O5'-C5'-C4' 114.277 2.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.858 0 O5'-C5'-C4' 113.987 2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.017 0 O5'-C5'-C4' 114.515 3.082 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.848 0 OP1-P-OP2 114.885 -3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.979 0 O5'-C5'-C4' 115.215 3.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.873 2 O4'-C1'-N19 114.267 8.084 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.979 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.823 0 OP1-P-OP2 113.707 -3.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.886 0 OP1-P-OP2 115.54 -2.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.936 0 O5'-C5'-C4' 113.646 2.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 O4'-C1'-C2' 102.949 -2.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.854 0 O5'-C5'-C4' 115.296 3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.828 0 O4'-C1'-N19 109.772 2.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.965 0 O5'-C5'-C4' 114.864 3.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.884 0 OP1-P-OP2 115.465 -2.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.995 0 C3'-C2'-C1' 97.411 -3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.006 0 O4'-C1'-C2' 102.745 -3.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . 0.49 " H3'" ' CE1' ' B' ' 29' ' ' HIS . . . . . . . . 0 C3'--C2' 1.537 1.862 0 P-O5'-C5' 115.672 -3.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.016 0 O5'-C5'-C4' 115.506 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.813 0 O5'-C5'-C4' 115.781 3.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.035 0 O5'-C5'-C4' 115.747 3.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.814 0 OP1-P-OP2 115.065 -3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.904 0 OP1-P-OP2 113.886 -3.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.784 0 O4'-C1'-C2' 102.648 -3.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.908 0 O5'-C5'-C4' 113.985 2.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.921 0 OP1-P-OP2 114.318 -3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.929 0 O5'-C5'-C4' 114.58 3.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.932 1 O4'-C1'-N19 113.277 6.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.01 1 O4'-C1'-N19 111.196 4.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.836 0 OP1-P-OP2 115.399 -2.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.786 0 OP1-P-OP2 115.39 -2.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.026 0 OP1-P-OP2 115.337 -2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.774 0 O5'-C5'-C4' 114.979 3.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.85 0 O5'-C5'-C4' 115.671 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 OP1-P-OP2 115.88 -2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.035 0 OP1-P-OP2 114.565 -3.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.957 0 OP1-P-OP2 116.006 -2.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 CA--C 1.49 -1.351 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -146.68 91.87 5.2 Favored Pre-proline 0 N--CA 1.429 -1.498 0 O-C-N 119.877 -1.765 . . . . 0.0 106.321 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -57.82 146.24 86.9 Favored 'Trans proline' 0 N--CA 1.433 -2.034 0 CA-C-N 123.733 2.369 . . . . 0.0 116.298 153.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -120.08 169.75 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 127.595 2.358 . . . . 0.0 105.473 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 p -133.63 163.84 28.53 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 119.272 -2.142 . . . . 0.0 108.417 175.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.458 HD22 ' H ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -49.02 -34.57 13.57 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.314 1.845 . . . . 0.0 115.524 169.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.458 ' H ' HD22 ' A' ' 6' ' ' LEU . 82.8 m-85 -68.43 -38.24 81.01 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.211 1.804 . . . . 0.0 112.972 176.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -71.27 -38.09 71.86 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.392 -1.443 . . . . 0.0 110.66 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 t -65.86 -45.68 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.034 2.134 . . . . 0.0 110.709 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.42 -54.48 45.1 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.4 1.88 . . . . 0.0 114.583 175.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -63.56 -35.29 80.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.94 -44.75 79.83 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.713 -1.242 . . . . 0.0 113.137 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -76.74 -23.64 53.0 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.988 -1.695 . . . . 0.0 111.27 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.03 39.08 6.21 Favored Glycine 0 N--CA 1.431 -1.644 0 C-N-CA 127.776 2.607 . . . . 0.0 112.477 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.23 -178.07 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.094 1.358 . . . . 0.0 110.04 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 p -87.74 157.44 19.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.764 1.268 . . . . 0.0 110.804 172.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.271 13.9 p90 -59.6 -42.71 93.2 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 -175.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -75.9 -10.75 59.68 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.401 -2.062 . . . . 0.0 113.792 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.5 m -68.34 -36.34 79.12 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.863 -1.148 . . . . 0.0 109.939 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.01 -52.74 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 124.571 1.149 . . . . 0.0 113.63 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -57.61 -23.97 53.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 117.516 2.413 . . . . 0.0 117.516 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -16.88 61.57 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.929 -1.107 . . . . 0.0 112.956 173.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.3 t -93.65 -43.67 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-O 122.968 1.366 . . . . 0.0 109.416 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.2 -59.43 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.421 2.288 . . . . 0.0 114.37 -176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -110.94 -59.18 2.0 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.783 -1.198 . . . . 0.0 114.132 -174.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -97.88 63.9 1.69 Allowed 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.98 1.371 . . . . 0.0 112.312 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.16 108.94 3.33 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -163.59 -72.31 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.632 -1.293 . . . . 0.0 107.759 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -80.97 58.33 3.39 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.121 -1.612 . . . . 0.0 112.472 172.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -91.0 125.88 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -70.22 -3.7 18.23 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.24 -50.95 0.65 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -66.42 -55.14 17.17 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 128.353 2.661 . . . . 0.0 109.962 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -60.15 -33.39 72.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.106 1.762 . . . . 0.0 113.964 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -49.67 -46.79 50.18 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.968 1.707 . . . . 0.0 115.06 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.65 -22.13 61.47 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -88.27 -40.24 13.79 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.181 0.991 . . . . 0.0 109.14 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.4 t -70.46 -44.53 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 121.352 -0.842 . . . . 0.0 111.917 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -63.01 -27.11 69.19 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 121.258 -0.901 . . . . 0.0 112.687 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.68 62.64 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.544 1.138 . . . . 0.0 112.176 170.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -70.03 -43.52 71.12 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.917 -1.74 . . . . 0.0 113.691 177.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.2 mtt -57.42 -26.68 61.52 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 125.551 1.541 . . . . 0.0 113.949 169.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -41.05 23.16 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.5 1.12 . . . . 0.0 112.767 -174.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -72.7 -61.3 1.85 Allowed 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.351 1.548 . . . . 0.0 112.243 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.62 -19.91 62.05 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.822 1.649 . . . . 0.0 113.794 -175.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 66.65 63.12 0.51 Allowed 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.547 1.939 . . . . 0.0 109.937 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -55.0 116.73 2.92 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.91 103.96 22.53 Favored Pre-proline 0 N--CA 1.43 -1.47 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 170.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.04 156.93 64.16 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 N-CA-C 119.382 2.801 . . . . 0.0 119.382 158.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -101.18 131.0 47.37 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.605 2.362 . . . . 0.0 109.211 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -78.7 -35.52 44.86 Favored 'General case' 0 N--CA 1.428 -1.527 0 O-C-N 120.334 -1.478 . . . . 0.0 111.19 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.01 -45.09 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 129.176 2.991 . . . . 0.0 114.754 178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.42 97.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.643 1.977 . . . . 0.0 112.733 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -68.5 -24.46 64.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.164 1.785 . . . . 0.0 112.11 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -85.99 -49.57 7.73 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.658 -1.276 . . . . 0.0 112.281 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.43 -50.52 69.45 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 124.853 1.261 . . . . 0.0 114.04 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.24 -14.11 60.14 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 116.875 2.176 . . . . 0.0 116.875 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.97 50.45 0.71 Allowed Glycine 0 N--CA 1.43 -1.76 0 C-N-CA 126.318 1.914 . . . . 0.0 116.666 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -62.47 144.81 55.51 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.413 1.485 . . . . 0.0 114.374 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -136.24 168.1 20.05 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.418 -1.426 . . . . 0.0 110.678 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 t -83.92 162.13 20.59 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 123.806 0.842 . . . . 0.0 110.495 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.689 0 C-N-CA 124.879 1.272 . . . . 0.0 111.18 -174.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 CA--C 1.49 -1.342 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -152.19 93.07 3.43 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -60.25 150.46 79.76 Favored 'Trans proline' 0 N--CA 1.433 -2.071 0 CA-C-N 122.469 1.917 . . . . 0.0 116.243 154.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.33 162.54 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 104.745 -2.317 . . . . 0.0 104.745 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -126.84 162.2 26.46 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.047 -1.658 . . . . 0.0 108.564 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -33.83 10.48 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.305 1.842 . . . . 0.0 115.374 171.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -69.69 -38.53 77.02 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 126.319 1.848 . . . . 0.0 112.309 176.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -37.92 75.73 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.863 -1.148 . . . . 0.0 111.001 -177.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 t -65.98 -45.32 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 127.271 2.229 . . . . 0.0 110.312 171.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.67 -54.71 42.92 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.91 1.684 . . . . 0.0 115.473 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.8 -36.34 82.81 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.145 1.378 . . . . 0.0 114.647 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -65.14 -47.34 77.43 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.907 -1.121 . . . . 0.0 112.803 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' B' ' 41' ' ' ALA . . . -75.96 -27.43 57.51 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.708 -1.87 . . . . 0.0 111.636 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.25 38.17 4.37 Favored Glycine 0 N--CA 1.429 -1.774 0 C-N-CA 125.749 1.643 . . . . 0.0 113.224 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -125.11 -178.27 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.011 1.724 . . . . 0.0 111.661 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 p -86.39 157.02 19.95 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.237 1.415 . . . . 0.0 111.149 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . 0.265 16.8 p90 -59.37 -42.31 91.3 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -175.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.51 -12.33 60.21 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.493 -2.005 . . . . 0.0 114.236 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 44.4 m -67.13 -34.51 77.75 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.569 -1.332 . . . . 0.0 110.383 174.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.68 -54.51 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 125.372 1.469 . . . . 0.0 113.033 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m -56.62 -27.16 57.64 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -19.55 65.01 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 124.884 1.274 . . . . 0.0 113.64 173.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.27 -46.01 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-O 123.062 1.41 . . . . 0.0 109.511 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.92 -58.16 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 127.719 2.408 . . . . 0.0 113.832 -174.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -108.51 -66.01 1.08 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.566 -1.334 . . . . 0.0 111.878 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -94.47 64.46 3.09 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.52 -1.363 . . . . 0.0 113.347 -166.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.96 107.3 1.45 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -160.7 -77.07 0.06 Allowed 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.55 -1.344 . . . . 0.0 108.215 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -79.34 59.12 2.77 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.744 1.259 . . . . 0.0 112.817 171.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -90.07 128.14 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 172.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.1 t -72.5 -6.41 43.65 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -176.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.55 -49.75 0.69 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.805 2.042 . . . . 0.0 115.389 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.69 -53.47 40.56 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.011 2.525 . . . . 0.0 110.353 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -61.87 -34.84 76.73 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.029 1.732 . . . . 0.0 114.789 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -48.22 -46.13 34.86 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.46 -23.94 64.85 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -87.09 -37.22 17.61 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.128 1.371 . . . . 0.0 109.111 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.45 -45.61 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 121.045 -1.034 . . . . 0.0 111.415 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -62.71 -28.67 70.11 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 121.269 -0.894 . . . . 0.0 113.089 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.17 -31.6 66.07 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 123.784 0.834 . . . . 0.0 112.334 170.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.479 ' HB3' ' HB1' ' B' ' 13' ' ' ALA . . . -68.54 -44.03 75.42 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.289 -2.132 . . . . 0.0 112.765 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 34.5 mtt -55.28 -29.04 57.37 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.757 1.623 . . . . 0.0 114.809 168.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.07 -32.24 30.42 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 124.331 1.052 . . . . 0.0 113.604 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -79.47 -63.01 1.51 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.909 1.338 . . . . 0.0 114.176 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -16.73 59.27 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.307 -173.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.35 69.64 0.26 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 128.635 2.774 . . . . 0.0 109.664 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -58.12 113.19 1.8 Allowed 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.6 103.94 21.55 Favored Pre-proline 0 N--CA 1.429 -1.499 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -65.75 161.78 37.51 Favored 'Trans proline' 0 C--N 1.3 -2.022 0 N-CA-C 120.91 3.388 . . . . 0.0 120.91 158.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -105.12 132.69 51.03 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 126.709 2.004 . . . . 0.0 107.801 173.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -81.52 -33.49 31.8 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.272 -1.517 . . . . 0.0 110.746 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.6 t -55.1 -43.96 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.772 2.829 . . . . 0.0 113.732 176.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.9 -27.75 68.42 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.897 2.079 . . . . 0.0 113.999 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -81.33 -23.18 37.97 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.3 -2.125 . . . . 0.0 110.32 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -85.9 -49.31 7.97 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.874 -1.766 . . . . 0.0 112.854 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.52 -52.29 65.11 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.35 -11.68 59.94 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.88 56.55 1.38 Allowed Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 125.618 1.58 . . . . 0.0 113.937 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -73.57 142.78 46.61 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 127.158 2.183 . . . . 0.0 112.698 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -133.99 179.11 6.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.985 -1.697 . . . . 0.0 113.094 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -91.12 158.38 16.67 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.529 1.132 . . . . 0.0 109.092 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.259 1.6 0 O-C-N 121.135 -0.978 . . . . 0.0 112.445 -173.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.85 0 C3'-C2'-C1' 98.919 -2.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.924 0 C3'-C2'-C1' 97.77 -3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.804 0 O5'-C5'-C4' 114.261 2.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 1 O5'-C5'-C4' 116.476 4.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.818 0 O5'-C5'-C4' 115.456 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.866 0 O5'-C5'-C4' 115.681 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.968 0 O5'-C5'-C4' 114.456 3.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.899 0 O5'-C5'-C4' 114.022 2.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.98 0 O4'-C1'-C2' 103.152 -2.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.94 0 O5'-C5'-C4' 113.62 2.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.824 0 O4'-C1'-N19 105.77 -2.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 O5'-C5'-C4' 113.648 2.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.945 2 O4'-C1'-N19 112.723 6.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.962 0 OP1-P-OP2 115.564 -2.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 OP1-P-OP2 115.002 -3.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.885 1 O4'-C1'-C2' 101.367 -4.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.934 0 O4'-C1'-C2' 104.004 -1.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.803 1 O4'-C1'-C2' 101.5 -4.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 P-O3'-C3' 124.089 3.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.837 0 O4'-C1'-N19 110.251 3.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 O4'-C1'-N19 110.667 3.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 OP1-P-OP2 115.461 -2.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.888 0 O5'-C5'-C4' 114.352 2.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.877 1 O4'-C1'-N19 111.146 4.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.85 0 O5'-C5'-C4' 115.272 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 P-O5'-C5' 115.0 -3.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.01 0 O5'-C5'-C4' 114.996 3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.911 0 O5'-C5'-C4' 115.58 3.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.829 0 O5'-C5'-C4' 113.779 2.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.888 0 OP1-P-OP2 115.334 -2.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.97 0 O4'-C1'-C2' 102.851 -2.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.981 0 O4'-C1'-N19 105.914 -2.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.93 0 OP1-P-OP2 115.401 -2.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.975 0 OP1-P-OP2 114.808 -3.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.886 1 O4'-C1'-N19 112.702 6.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.953 0 OP1-P-OP2 115.667 -2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 OP1-P-OP2 114.734 -3.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.967 0 O4'-C1'-C2' 102.031 -3.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.94 0 O5'-C5'-C4' 113.768 2.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.921 0 O4'-C1'-C2' 101.992 -3.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.93 0 OP1-P-OP2 115.324 -2.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.906 0 OP1-P-OP2 114.876 -3.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 0 O4'-C1'-N19 110.345 3.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.989 0 O4'-C1'-N19 109.666 2.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.489 -1.368 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.347 5.4 mmtt -64.85 -60.6 7.83 Favored Pre-proline 0 N--CA 1.43 -1.449 0 CA-C-O 114.251 -2.785 . . . . 0.0 114.245 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -83.89 168.87 12.09 Favored 'Trans proline' 0 N--CA 1.433 -2.053 0 CA-C-N 126.164 3.237 . . . . 0.0 108.176 -156.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.7 t -118.6 162.53 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 N-CA-C 102.598 -3.112 . . . . 0.0 102.598 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 p -120.29 160.48 22.91 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 121.611 2.005 . . . . 0.0 108.923 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -27.81 21.27 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 173.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.59 -46.51 63.31 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 128.201 2.601 . . . . 0.0 110.613 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.0 -29.03 69.34 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.087 -1.633 . . . . 0.0 113.977 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -71.29 -48.6 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 128.647 2.779 . . . . 0.0 110.574 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.51 -54.82 41.29 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -57.57 -36.04 71.16 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.249 1.82 . . . . 0.0 112.756 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -69.49 -45.46 68.88 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -76.63 -16.65 59.51 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.254 -1.529 . . . . 0.0 110.948 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.38 21.92 28.25 Favored Glycine 0 N--CA 1.43 -1.703 0 C-N-CA 125.467 1.508 . . . . 0.0 113.975 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -115.14 -174.18 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 125.114 1.366 . . . . 0.0 111.266 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -92.44 155.53 17.8 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 120.916 -1.115 . . . . 0.0 109.871 173.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -61.58 -30.01 70.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.143 -2.223 . . . . 0.0 115.592 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -72.14 -15.88 61.98 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.834 -1.166 . . . . 0.0 112.164 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -82.05 -44.56 16.45 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.065 -1.647 . . . . 0.0 110.239 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.73 -49.27 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.9 p -54.46 -30.17 52.05 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.679 2.474 . . . . 0.0 117.679 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -65.1 -24.63 67.49 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.484 1.514 . . . . 0.0 113.027 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.41 -46.88 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-O 122.788 1.28 . . . . 0.0 109.313 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -55.75 -59.04 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 128.062 2.545 . . . . 0.0 115.48 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.21 -21.01 0.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -86.82 55.84 3.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.597 -1.939 . . . . 0.0 113.16 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.71 93.93 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.667 2.387 . . . . 0.0 116.82 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 t -142.62 -96.86 0.12 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.46 1.104 . . . . 0.0 108.716 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -89.25 70.2 8.23 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.323 -1.486 . . . . 0.0 111.321 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.78 118.03 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.709 1.204 . . . . 0.0 108.696 173.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 t -71.88 124.34 24.64 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.888 -1.757 . . . . 0.0 110.014 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.45 71.47 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 121.04 -1.037 . . . . 0.0 113.732 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -65.33 -61.26 2.22 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.803 2.041 . . . . 0.0 110.932 173.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -67.32 -35.36 79.28 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.487 1.915 . . . . 0.0 115.797 -176.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -43.37 -52.53 5.84 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.4 -10.99 38.23 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -93.87 -40.73 10.0 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.43 -1.419 . . . . 0.0 109.236 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.2 t -70.49 -42.47 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.136 -1.602 . . . . 0.0 111.649 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -53.73 -32.19 51.1 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.41 -37.71 63.27 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 124.24 1.016 . . . . 0.0 112.525 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -62.4 -48.57 79.15 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.452 -2.03 . . . . 0.0 114.641 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 ptp -63.54 -14.51 51.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.876 -1.765 . . . . 0.0 114.724 171.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.97 -41.69 13.71 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.925 1.29 . . . . 0.0 113.811 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.5 -45.97 67.69 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.364 -1.46 . . . . 0.0 112.261 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.9 mt -85.31 -21.05 29.12 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.653 1.581 . . . . 0.0 113.945 -175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.495 0.6 OUTLIER 65.06 62.39 0.72 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 127.609 2.363 . . . . 0.0 113.632 -173.35 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -58.49 123.01 14.75 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.972 1.841 . . . . 0.0 115.972 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -103.74 104.83 44.74 Favored Pre-proline 0 N--CA 1.43 -1.429 0 N-CA-C 104.745 -2.316 . . . . 0.0 104.745 172.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -73.1 156.08 51.89 Favored 'Trans proline' 0 C--N 1.3 -2.006 0 CA-C-N 125.332 2.94 . . . . 0.0 115.345 151.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -127.21 142.65 51.43 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 122.641 1.21 . . . . 0.0 113.346 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -80.51 40.12 0.49 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.835 -1.791 . . . . 0.0 114.596 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.32 -56.57 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 127.194 2.198 . . . . 0.0 105.326 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.22 70.82 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 130.642 3.577 . . . . 0.0 113.198 172.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -80.46 -1.74 42.88 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -111.41 -63.54 1.4 Allowed 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.65 -1.906 . . . . 0.0 113.626 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tp -49.47 -39.94 35.32 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.77 -27.57 7.5 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 129.647 3.179 . . . . 0.0 115.35 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.47 43.36 1.6 Allowed Glycine 0 N--CA 1.43 -1.752 0 C-N-CA 124.606 1.098 . . . . 0.0 114.005 174.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.515 ' HZ3' ' C ' ' A' ' 62' ' ' LEU . 51.2 tttm -69.66 138.3 52.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -85.08 136.87 33.38 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.933 1.693 . . . . 0.0 112.373 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . 0.255 38.0 m 58.67 -108.62 0.42 Allowed 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 125.917 1.687 . . . . 0.0 114.13 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.515 ' C ' ' HZ3' ' A' ' 59' ' ' LYS . 36.0 tp . . . . . 0 C--O 1.26 1.615 0 O-C-N 120.839 -1.163 . . . . 0.0 111.051 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.49 -1.334 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -84.48 -48.59 0.65 Allowed Pre-proline 0 N--CA 1.43 -1.448 0 N-CA-C 120.414 3.487 . . . . 0.0 120.414 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.2 159.42 4.19 Favored 'Trans proline' 0 N--CA 1.434 -2.028 0 N-CA-C 120.497 3.23 . . . . 0.0 120.497 156.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 t -128.32 159.62 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 101.623 -3.473 . . . . 0.0 101.623 175.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 72.1 p -117.35 161.35 19.67 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.825 -1.797 . . . . 0.0 110.473 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.426 ' HG ' ' HB2' ' B' ' 17' ' ' TYR . 0.7 OUTLIER -55.93 -27.9 54.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.346 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -72.11 -40.64 68.01 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.646 1.578 . . . . 0.0 111.989 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.18 -31.83 70.73 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.943 1.297 . . . . 0.0 111.441 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.77 -47.1 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 128.393 2.677 . . . . 0.0 110.071 171.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.01 36.79 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -59.25 -34.14 71.87 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.752 2.021 . . . . 0.0 114.74 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -73.96 -44.57 54.37 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 123.69 0.796 . . . . 0.0 112.643 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -74.98 -17.15 60.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.588 -1.945 . . . . 0.0 112.798 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.67 32.26 9.45 Favored Glycine 0 N--CA 1.43 -1.741 0 C-N-CA 125.992 1.758 . . . . 0.0 113.32 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -126.12 -178.14 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 121.235 -1.156 . . . . 0.0 110.974 -176.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.6 t -87.83 156.6 19.32 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.932 -1.105 . . . . 0.0 109.31 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.426 ' HB2' ' HG ' ' B' ' 6' ' ' LEU . 5.5 p90 -63.87 -26.81 68.78 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.04 -2.288 . . . . 0.0 114.946 177.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -70.7 -19.9 62.72 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.732 2.013 . . . . 0.0 112.614 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -81.19 -44.5 17.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.529 1.132 . . . . 0.0 109.565 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -55.28 -49.21 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 90.9 p -56.52 -29.81 62.3 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -63.49 -26.79 68.88 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.512 -1.368 . . . . 0.0 112.712 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.5 t -85.86 -44.03 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 120.785 -1.197 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -57.27 -65.74 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 126.363 1.865 . . . . 0.0 114.694 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.56 -7.27 0.34 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -93.56 54.72 2.08 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.428 -2.67 . . . . 0.0 112.275 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 87.44 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 127.509 2.324 . . . . 0.0 117.217 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.3 t -136.27 -98.5 0.22 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.157 1.383 . . . . 0.0 109.268 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -91.32 72.83 6.16 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.126 -1.609 . . . . 0.0 111.086 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.95 113.46 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 125.063 1.345 . . . . 0.0 109.164 175.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.6 t -70.61 126.59 30.03 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.871 -1.143 . . . . 0.0 110.761 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.44 -36.02 82.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.509 -1.37 . . . . 0.0 113.57 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.53 -55.0 38.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.245 1.418 . . . . 0.0 112.12 174.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -70.91 -42.25 70.17 Favored 'General case' 0 N--CA 1.429 -1.515 0 N-CA-C 117.16 2.281 . . . . 0.0 117.16 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -40.71 -52.45 2.94 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.33 -20.32 58.84 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 127.038 2.135 . . . . 0.0 115.525 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.98 -40.48 12.99 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-O 123.599 1.666 . . . . 0.0 109.327 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.1 t -72.04 -40.81 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 O-C-N 119.938 -1.726 . . . . 0.0 112.428 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -58.35 -27.93 64.64 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 123.721 0.808 . . . . 0.0 112.363 174.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.15 60.11 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 123.796 0.838 . . . . 0.0 112.779 171.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -62.02 -45.23 94.51 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.941 -2.35 . . . . 0.0 114.816 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 1.1 ptp -65.72 -16.55 63.87 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.853 -1.779 . . . . 0.0 113.826 173.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.64 -45.41 13.49 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.309 0.958 . . . . 0.0 110.894 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.5 -48.36 72.82 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 122.409 1.099 . . . . 0.0 112.933 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 14.5 mt -82.75 -16.75 46.76 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.729 2.012 . . . . 0.0 115.005 -177.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.412 1.4 p-10 60.51 59.24 2.28 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.363 3.065 . . . . 0.0 112.834 -175.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -54.29 129.71 36.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.22 107.42 55.64 Favored Pre-proline 0 N--CA 1.429 -1.484 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -72.26 154.79 56.6 Favored 'Trans proline' 0 C--N 1.3 -2.017 0 CA-C-N 123.982 2.458 . . . . 0.0 115.593 151.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -125.65 141.44 52.02 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 121.183 -0.948 . . . . 0.0 110.532 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -81.31 45.12 0.83 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 123.836 1.779 . . . . 0.0 115.241 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 33.0 t -116.66 -56.19 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 129.326 3.05 . . . . 0.0 104.974 171.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.77 81.1 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 129.377 3.071 . . . . 0.0 112.807 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.34 -0.45 25.65 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.265 -1.522 . . . . 0.0 114.578 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -114.35 -57.25 2.3 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.725 -1.859 . . . . 0.0 115.263 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -53.96 -43.24 69.72 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.657 -1.902 . . . . 0.0 116.003 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.34 -19.73 0.55 Allowed 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 130.682 3.593 . . . . 0.0 118.433 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.76 29.89 6.02 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 171.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.466 ' HZ3' ' C ' ' B' ' 62' ' ' LEU . 47.2 tttm -59.64 144.03 48.91 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -87.23 156.26 19.74 Favored 'General case' 0 N--CA 1.431 -1.379 0 C-N-CA 124.273 1.029 . . . . 0.0 110.766 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.9 m 44.09 -106.75 0.1 Allowed 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 127.5 2.32 . . . . 0.0 116.524 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.466 ' C ' ' HZ3' ' B' ' 59' ' ' LYS . 40.2 tp . . . . . 0 C--O 1.26 1.631 0 C-N-CA 125.568 1.547 . . . . 0.0 109.813 177.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.952 0 O5'-C5'-C4' 114.138 2.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.984 0 P-O5'-C5' 115.188 -3.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.02 0 O5'-C5'-C4' 114.494 3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.877 1 O5'-C5'-C4' 115.885 4.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.87 0 O5'-C5'-C4' 114.241 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.891 0 O5'-C5'-C4' 115.145 3.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.865 0 OP1-P-OP2 115.749 -2.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O5'-C5'-C4' 115.135 3.525 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 O4'-C1'-N19 110.793 3.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.983 0 C5'-C4'-C3' 110.569 -2.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 O5'-C5'-C4' 114.295 2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . 0.442 H2'' ' C6 ' ' C' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.908 0 O5'-C5'-C4' 113.935 2.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . 0.442 ' C6 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.538 1.969 2 O5'-C5'-C4' 116.761 4.686 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.878 1 P-O3'-C3' 126.563 5.719 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 O4'-C1'-N19 110.39 3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.042 0 O4'-C1'-C2' 102.423 -3.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.819 0 O5'-C5'-C4' 113.773 2.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.906 1 O4'-C1'-C2' 101.599 -4.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.941 2 P-O5'-C5' 114.085 -4.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.828 0 O4'-C1'-C2' 102.723 -3.07 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.986 0 O5'-C5'-C4' 114.164 2.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 OP1-P-OP2 115.989 -2.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.891 0 O5'-C5'-C4' 114.153 2.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 0 O4'-C1'-C2' 101.96 -3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O5'-C5'-C4' 114.562 3.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.903 2 O5'-C5'-C4' 116.092 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.908 0 P-O3'-C3' 123.674 3.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.925 0 O5'-C5'-C4' 115.387 3.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.849 0 OP1-P-OP2 116.238 -2.241 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.967 1 O5'-C5'-C4' 115.861 4.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O4'-C1'-C2' 102.696 -3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . 0.413 H2'' ' C5 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 1.959 0 OP1-P-OP2 114.525 -3.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.413 ' C5 ' H2'' ' D' ' 10' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.858 0 C3'-C2'-C1' 106.289 2.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.402 H2'' ' C6 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 1.966 0 C3'-C2'-C1' 99.759 -2.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.402 ' C6 ' H2'' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.882 3 O4'-C1'-N19 112.377 5.721 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.848 0 P-O3'-C3' 123.354 3.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.939 0 OP1-P-OP2 114.651 -3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.939 0 C3'-C2'-C1' 98.081 -3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.881 0 O4'-C4'-C3' 107.959 2.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 O4'-C1'-C2' 102.298 -3.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.928 0 P-O5'-C5' 115.197 -3.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.968 0 O5'-C5'-C4' 114.154 2.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.818 0 C4'-C3'-C2' 105.687 2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.887 0 OP1-P-OP2 116.108 -2.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tmm? . . . . . 0 CA--C 1.49 -1.363 0 CA-C-O 118.637 -0.697 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -152.19 -63.98 0.02 OUTLIER Pre-proline 0 N--CA 1.43 -1.461 0 CA-C-O 116.158 -1.877 . . . . 0.0 113.435 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -57.95 139.97 92.26 Favored 'Trans proline' 0 N--CA 1.433 -2.034 0 CA-C-N 127.602 3.751 . . . . 0.0 119.21 153.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 t -110.88 159.28 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 129.416 3.086 . . . . 0.0 103.627 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.1 p -120.43 161.1 21.81 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.567 -1.333 . . . . 0.0 109.911 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.41 HD21 ' H ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -54.21 -29.5 46.42 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.592 2.357 . . . . 0.0 113.8 173.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.41 ' H ' HD21 ' A' ' 6' ' ' LEU . 79.1 m-85 -71.3 -40.69 70.67 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 126.814 2.045 . . . . 0.0 111.535 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.98 -37.8 86.88 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.758 -1.214 . . . . 0.0 112.119 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.41 HG22 ' CG ' ' A' ' 47' ' ' TYR . 4.1 t -67.0 -47.73 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.85 2.46 . . . . 0.0 111.705 172.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.79 -52.41 64.08 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.869 2.068 . . . . 0.0 114.648 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -58.75 -44.82 90.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.208 1.403 . . . . 0.0 112.951 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -62.25 -47.73 83.06 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 41' ' ' ALA . . . -77.17 -19.31 56.97 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.185 -1.572 . . . . 0.0 113.792 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.05 37.9 8.16 Favored Glycine 0 N--CA 1.429 -1.796 0 C-N-CA 125.341 1.448 . . . . 0.0 113.979 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.44 -177.63 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.693 1.597 . . . . 0.0 111.827 -174.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.4 t -87.4 165.14 15.8 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.554 -1.341 . . . . 0.0 111.154 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -68.72 -34.53 75.79 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.618 -1.927 . . . . 0.0 112.009 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -88.83 14.95 9.17 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.758 -1.214 . . . . 0.0 113.313 170.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 m -91.04 -50.18 6.0 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 105.253 -2.129 . . . . 0.0 105.253 165.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.1 t -50.71 -60.47 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 127.469 2.308 . . . . 0.0 115.859 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.1 p -54.38 -34.9 62.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -68.16 -21.8 64.88 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 111.727 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.91 -45.66 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 119.477 -2.015 . . . . 0.0 109.125 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.2 t -55.26 -52.4 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.744 2.418 . . . . 0.0 112.43 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -87.8 5.64 39.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.898 0.879 . . . . 0.0 112.877 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 46.85 69.31 0.5 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 -177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.71 -168.78 2.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.981 1.712 . . . . 0.0 113.511 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.7 m -71.79 -64.11 1.0 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.122 -2.236 . . . . 0.0 115.872 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -77.84 69.68 4.11 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -174.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.85 117.03 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 176.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 t -79.55 127.64 32.4 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 121.841 0.829 . . . . 0.0 109.752 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.74 -33.09 73.44 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -64.76 -56.46 13.44 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.021 1.391 . . . . 0.0 110.818 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.6 m -64.36 -42.41 96.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 127.617 2.367 . . . . 0.0 113.912 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -41.1 -48.98 3.44 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.59 -18.8 65.59 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -82.16 -40.56 21.62 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 124.501 1.12 . . . . 0.0 108.261 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.0 t -70.5 -47.78 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.318 1.447 . . . . 0.0 110.932 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.89 -25.94 68.38 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.769 -1.207 . . . . 0.0 112.952 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.8 -35.79 67.42 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.299 1.04 . . . . 0.0 112.356 169.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HB3' ' HB1' ' A' ' 13' ' ' ALA . . . -64.97 -45.1 87.09 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.153 -1.592 . . . . 0.0 113.514 -178.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.0 mtt -50.96 -37.44 44.57 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.478 1.511 . . . . 0.0 113.844 169.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.5 -35.83 45.86 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.619 1.567 . . . . 0.0 113.524 -171.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -69.78 -62.32 1.43 Allowed 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.666 1.698 . . . . 0.0 111.383 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.91 -27.96 66.24 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 112.973 -1.921 . . . . 0.0 114.488 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.84 67.31 0.23 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.415 2.286 . . . . 0.0 108.684 -173.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.41 ' CG ' HG22 ' A' ' 9' ' ' VAL . 14.5 t80 -63.44 136.14 57.4 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.1 mm -106.87 115.46 60.3 Favored Pre-proline 0 N--CA 1.43 -1.443 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -53.26 107.88 0.23 Allowed 'Trans proline' 0 C--N 1.3 -2.01 0 CA-C-N 123.433 2.262 . . . . 0.0 115.245 150.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -83.2 107.36 15.7 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 119.74 1.155 . . . . 0.0 108.374 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -72.64 -14.59 61.63 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.146 -2.221 . . . . 0.0 114.764 -174.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.07 -44.46 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 119.743 -1.848 . . . . 0.0 111.836 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.03 86.25 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 128.02 2.528 . . . . 0.0 113.34 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -59.83 -29.9 68.57 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.94 2.496 . . . . 0.0 113.387 173.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -87.52 -48.66 7.75 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.562 -1.336 . . . . 0.0 113.86 178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 tp -64.58 -38.05 89.69 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -177.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.59 -67.91 0.52 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 121.714 -0.616 . . . . 0.0 109.539 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 18.1 41.69 0.01 OUTLIER Glycine 0 N--CA 1.43 -1.74 1 C-N-CA 132.142 4.687 . . . . 0.0 121.433 177.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -67.22 149.28 50.65 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.506 2.039 . . . . 0.0 116.506 -172.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -123.98 163.65 20.94 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.575 1.55 . . . . 0.0 107.803 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.2 t -146.56 -103.75 0.1 Allowed 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.835 -1.166 . . . . 0.0 110.213 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--O 1.261 1.658 0 O-C-N 120.329 -1.482 . . . . 0.0 110.346 177.635 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.8 tmm? . . . . . 0 CA--C 1.491 -1.307 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -149.45 -62.95 0.02 OUTLIER Pre-proline 0 N--CA 1.429 -1.485 0 CA-C-O 115.586 -2.15 . . . . 0.0 114.177 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -60.0 137.76 77.94 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 CA-C-N 126.895 3.498 . . . . 0.0 118.204 151.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 t -105.66 162.34 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 130.639 3.576 . . . . 0.0 103.727 173.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.7 p -123.97 158.6 31.68 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.202 1.365 . . . . 0.0 108.958 -178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.17 -26.86 41.59 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 174.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -71.01 -38.19 72.65 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.763 2.425 . . . . 0.0 111.395 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.17 -39.13 78.91 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.852 1.261 . . . . 0.0 110.93 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 3.8 t -66.59 -48.19 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 127.075 2.15 . . . . 0.0 111.309 171.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.07 -50.26 71.47 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.677 1.591 . . . . 0.0 114.983 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -58.71 -42.67 89.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.201 1.8 . . . . 0.0 114.941 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -66.58 -47.68 71.99 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.285 -1.509 . . . . 0.0 113.137 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -74.65 -23.41 58.66 Favored 'General case' 0 N--CA 1.432 -1.373 0 O-C-N 119.779 -1.825 . . . . 0.0 113.099 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.46 31.99 8.51 Favored Glycine 0 N--CA 1.431 -1.667 0 C-N-CA 126.087 1.803 . . . . 0.0 113.76 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -126.95 -169.58 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 125.636 1.575 . . . . 0.0 111.999 -169.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.0 t -96.38 162.75 13.36 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.506 1.146 . . . . 0.0 110.181 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -66.88 -32.43 73.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.564 -1.96 . . . . 0.0 111.991 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -88.29 6.05 38.88 Favored 'General case' 0 CA--C 1.488 -1.407 0 O-C-N 120.141 -1.599 . . . . 0.0 113.616 170.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 89.0 m -84.38 -47.99 10.13 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 104.466 -2.42 . . . . 0.0 104.466 166.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 74.0 t -50.65 -63.09 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 N-CA-C 116.64 2.089 . . . . 0.0 116.64 176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.8 p -56.99 -33.4 67.08 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -23.36 66.32 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.727 -1.233 . . . . 0.0 111.852 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.68 -49.63 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 120.055 -1.653 . . . . 0.0 109.888 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 57.5 t -48.6 -54.77 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 127.952 2.501 . . . . 0.0 115.168 177.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -85.56 -11.35 54.26 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.9 1.28 . . . . 0.0 113.267 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.253 33.5 mt-30 66.24 70.58 0.42 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.961 2.104 . . . . 0.0 113.903 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.23 -162.07 0.8 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.129 1.372 . . . . 0.0 112.569 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 74.9 m -79.74 -58.32 3.24 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.834 -1.791 . . . . 0.0 114.458 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -82.9 69.81 9.78 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 78.4 t -101.55 115.51 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 25.1 t -77.88 122.61 25.7 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.529 1.132 . . . . 0.0 110.468 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -28.93 68.15 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -175.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.9 mtmt -69.09 -55.65 10.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.61 1.564 . . . . 0.0 111.492 174.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 5.1 m -68.72 -34.18 75.2 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -41.79 -51.79 4.12 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.01 -16.62 64.06 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -83.16 -40.69 19.4 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -70.24 -47.98 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 121.553 -0.717 . . . . 0.0 112.507 173.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.251 39.3 mt-10 -62.83 -27.84 69.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 118.625 0.648 . . . . 0.0 112.115 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.98 -38.63 72.74 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 121.14 -0.975 . . . . 0.0 112.16 169.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -63.25 -42.27 99.17 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.597 -1.94 . . . . 0.0 114.713 -178.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 30.3 mtt -54.48 -29.79 51.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.728 1.611 . . . . 0.0 115.02 168.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.88 -31.0 20.99 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 125.128 1.371 . . . . 0.0 113.662 -171.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.06 -59.02 2.92 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 124.021 1.867 . . . . 0.0 108.747 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -76.53 -23.51 53.65 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.282 2.233 . . . . 0.0 115.295 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.28 64.23 0.85 Allowed 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.932 1.693 . . . . 0.0 111.051 -173.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -61.14 132.5 53.93 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 11.2 mm -100.85 117.41 62.62 Favored Pre-proline 0 N--CA 1.431 -1.425 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -53.89 108.9 0.31 Allowed 'Trans proline' 0 N--CA 1.433 -2.038 0 CA-C-N 124.058 2.485 . . . . 0.0 116.306 150.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -82.85 112.38 19.61 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 mtt85 -79.28 -11.44 59.94 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.086 -2.259 . . . . 0.0 113.293 -173.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 t -75.6 -42.85 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 120.139 -1.601 . . . . 0.0 111.233 177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.47 70.66 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 128.187 2.595 . . . . 0.0 112.921 171.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -73.25 -26.16 61.0 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.876 -1.765 . . . . 0.0 112.52 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -91.68 -44.65 8.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.705 1.742 . . . . 0.0 115.705 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.14 -45.4 85.17 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 -69.72 0.29 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.333 1.053 . . . . 0.0 111.183 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 16.53 52.34 0.01 OUTLIER Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 130.676 3.988 . . . . 0.0 119.534 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -80.47 150.7 29.6 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -170.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -123.07 161.42 24.39 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.368 1.467 . . . . 0.0 108.443 176.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 32.8 t -141.29 -102.45 0.14 Allowed 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.934 -1.729 . . . . 0.0 107.242 -178.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 47.2 tp . . . . . 0 C--O 1.261 1.661 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 176.615 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.934 0 C3'-C2'-C1' 97.244 -3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.783 0 C3'-C2'-C1' 98.158 -3.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.917 0 O5'-C5'-C4' 115.253 3.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.852 0 P-O5'-C5' 115.941 -3.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.999 0 O5'-C5'-C4' 115.037 3.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.973 0 P-O3'-C3' 124.233 3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.917 0 O5'-C5'-C4' 114.395 2.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.869 0 OP1-P-OP2 115.404 -2.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.809 1 O4'-C1'-C2' 101.002 -4.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.833 0 O5'-C5'-C4' 115.428 3.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.013 0 OP1-P-OP2 115.252 -2.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 O5'-C5'-C4' 115.476 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.873 2 O4'-C1'-N19 113.074 6.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.858 0 OP1-P-OP2 115.143 -2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 0 O5'-C5'-C4' 115.167 3.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . 0.411 H2'' ' C5 ' ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.864 0 O4'-C1'-C2' 102.037 -3.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.411 ' C5 ' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.537 1.929 0 O5'-C5'-C4' 113.739 2.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 O4'-C1'-C2' 101.84 -3.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 O4'-C1'-C2' 102.055 -3.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.912 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 O4'-C1'-N19 110.205 3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.93 0 OP1-P-OP2 115.822 -2.519 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.885 0 O5'-C5'-C4' 115.683 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.877 1 O4'-C1'-C2' 101.65 -4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.987 0 O5'-C5'-C4' 114.6 3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.981 0 O4'-C1'-C2' 102.684 -3.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.841 1 O5'-C5'-C4' 115.814 4.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.981 0 O4'-C1'-N19 104.721 -3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.91 0 O5'-C5'-C4' 115.268 3.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.05 0 O5'-C5'-C4' 114.435 3.025 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.993 0 O4'-C1'-C2' 102.059 -3.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.932 0 O5'-C5'-C4' 114.459 3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.044 0 OP1-P-OP2 115.641 -2.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O5'-C5'-C4' 114.686 3.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.934 1 O4'-C1'-N19 113.233 6.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.942 1 O4'-C1'-N19 111.881 5.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.971 1 O5'-C5'-C4' 116.024 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.92 0 O4'-C1'-C2' 102.187 -3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.959 0 O5'-C5'-C4' 114.162 2.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O4'-C1'-C2' 101.755 -3.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O4'-C1'-C2' 101.898 -3.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.002 0 O4'-C1'-N19 110.76 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.882 0 OP1-P-OP2 115.492 -2.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.921 0 OP1-P-OP2 115.469 -2.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.491 -1.326 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm 52.86 74.33 0.8 Allowed Pre-proline 0 N--CA 1.43 -1.448 0 N-CA-C 117.792 2.515 . . . . 0.0 117.792 -174.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -44.21 140.09 5.82 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 C-N-CA 123.124 2.549 . . . . 0.0 118.658 151.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.1 169.56 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 130.447 3.499 . . . . 0.0 104.977 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 p -132.86 159.44 39.85 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.721 -1.862 . . . . 0.0 108.295 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.46 -31.29 22.71 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 172.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -74.52 -30.49 61.8 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.271 1.829 . . . . 0.0 112.269 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -40.83 69.96 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.422 1.489 . . . . 0.0 110.484 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -66.14 -47.5 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 127.872 2.469 . . . . 0.0 111.347 173.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.22 78.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.59 -45.15 92.73 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.76 1.624 . . . . 0.0 113.597 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.72 -48.61 78.49 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.061 -1.649 . . . . 0.0 113.389 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -74.7 -14.09 60.69 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.563 -1.336 . . . . 0.0 113.38 -177.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.59 31.65 36.17 Favored Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 125.805 1.669 . . . . 0.0 112.788 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.0 m -124.33 -168.72 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 125.131 1.372 . . . . 0.0 109.566 -176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 p -102.64 167.11 10.12 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.984 -1.072 . . . . 0.0 111.626 175.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -68.37 -29.89 68.7 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 118.792 -2.443 . . . . 0.0 113.49 176.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -63.06 -40.77 98.67 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.958 2.103 . . . . 0.0 111.122 171.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -66.06 -42.56 89.29 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.702 -1.249 . . . . 0.0 111.581 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.28 -55.59 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 176.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.6 t -55.53 -32.35 62.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.91 -36.04 62.3 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.112 1.765 . . . . 0.0 113.587 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.5 t -88.69 -45.43 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 125.13 1.372 . . . . 0.0 110.027 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.3 t -55.87 -46.08 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 128.013 2.525 . . . . 0.0 113.906 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -90.81 0.02 57.58 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.389 -1.444 . . . . 0.0 114.166 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 52.59 64.31 1.9 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.996 2.119 . . . . 0.0 115.687 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.56 -174.71 2.16 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 121.959 0.885 . . . . 0.0 111.901 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.9 m -82.44 -54.24 5.36 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.746 -1.846 . . . . 0.0 110.229 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -77.26 70.48 3.66 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.086 1.354 . . . . 0.0 113.242 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.7 t -105.68 125.29 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 173.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 t -72.56 119.79 17.28 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 121.085 -1.009 . . . . 0.0 110.121 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.58 -29.48 70.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.401 1.48 . . . . 0.0 114.019 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -66.72 -55.82 13.35 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.764 -1.21 . . . . 0.0 110.756 174.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -65.57 -37.91 88.02 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.657 1.983 . . . . 0.0 115.727 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -43.36 -49.59 6.94 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.54 -19.63 63.84 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.685 1.994 . . . . 0.0 115.696 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -84.58 -43.66 14.26 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.947 -1.095 . . . . 0.0 108.319 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 t -68.18 -46.24 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 124.048 0.939 . . . . 0.0 111.503 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -58.12 -29.12 65.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 121.182 -0.949 . . . . 0.0 112.668 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.21 71.77 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 123.141 0.576 . . . . 0.0 112.368 172.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -66.19 -41.67 89.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.524 -1.985 . . . . 0.0 115.077 178.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.9 mtt -55.99 -27.26 52.0 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 168.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.32 -42.48 14.56 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.505 1.122 . . . . 0.0 113.313 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -68.32 -52.32 34.85 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 123.903 1.811 . . . . 0.0 112.603 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.31 -23.75 37.65 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 113.437 -1.71 . . . . 0.0 113.189 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.86 63.88 0.31 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.926 2.091 . . . . 0.0 110.514 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -60.07 124.33 19.89 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -105.69 105.25 52.21 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 169.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -64.56 115.06 2.99 Favored 'Trans proline' 0 C--N 1.299 -2.037 0 CA-C-N 123.474 2.277 . . . . 0.0 115.95 154.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -75.51 140.37 42.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.255 1.422 . . . . 0.0 112.817 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -73.19 -28.85 62.43 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.95 -1.719 . . . . 0.0 113.268 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -62.29 -40.97 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.702 -1.874 . . . . 0.0 113.293 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.41 -24.17 65.63 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.745 2.418 . . . . 0.0 113.49 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -81.88 -32.78 30.86 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.712 -1.242 . . . . 0.0 111.243 173.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -86.72 -36.74 18.49 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 -172.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 56' ' ' LEU . 8.0 tp -71.32 -42.68 68.31 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.624 -1.923 . . . . 0.0 112.48 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.68 -58.05 10.25 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.235 2.214 . . . . 0.0 108.779 165.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.22 -49.88 0.87 Allowed Glycine 0 N--CA 1.43 -1.727 0 N-CA-C 121.927 3.531 . . . . 0.0 121.927 162.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -98.76 -174.99 2.93 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 -164.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -154.69 113.43 3.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.885 1.274 . . . . 0.0 109.634 176.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.0 p -89.72 -169.19 2.37 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.638 1.975 . . . . 0.0 113.456 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.261 1.678 0 C-N-CA 127.588 2.355 . . . . 0.0 115.378 178.89 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.49 -1.333 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm 65.31 84.21 0.18 Allowed Pre-proline 0 N--CA 1.429 -1.485 0 C-N-CA 127.485 2.314 . . . . 0.0 112.936 -174.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.34 153.81 4.46 Favored 'Trans proline' 0 C--N 1.299 -2.067 0 C-N-CA 123.301 2.668 . . . . 0.0 117.904 150.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.05 164.94 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 N-CA-C 103.077 -2.934 . . . . 0.0 103.077 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 20.2 p -128.26 160.98 30.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.769 -1.832 . . . . 0.0 109.521 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.438 HD22 ' H ' ' B' ' 7' ' ' TYR . 0.8 OUTLIER -50.85 -31.7 18.06 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 171.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . 0.438 ' H ' HD22 ' B' ' 6' ' ' LEU . 60.5 m-85 -72.08 -35.1 69.15 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.28 1.432 . . . . 0.0 112.538 176.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -40.2 77.07 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.637 1.575 . . . . 0.0 110.657 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 t -64.88 -48.49 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.726 2.41 . . . . 0.0 111.365 173.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.35 83.51 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -61.67 -43.72 98.32 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.867 1.667 . . . . 0.0 113.364 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -62.91 -49.47 74.67 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.149 0.98 . . . . 0.0 113.184 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -74.56 -10.63 59.73 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.724 -1.235 . . . . 0.0 113.377 -176.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.12 27.86 61.37 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 125.845 1.688 . . . . 0.0 113.8 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -116.26 -152.89 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.389 1.476 . . . . 0.0 110.632 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.4 p -120.51 165.05 15.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.785 1.634 . . . . 0.0 109.546 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -66.98 -30.06 70.07 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.731 -1.855 . . . . 0.0 113.249 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -65.46 -39.33 91.87 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.123 1.769 . . . . 0.0 111.595 172.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -66.26 -43.27 86.95 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.643 1.177 . . . . 0.0 111.335 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.15 -58.27 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.1 t -58.03 -29.19 65.15 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -54.24 -36.03 63.12 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.12 1.768 . . . . 0.0 113.352 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 37.4 t -88.13 -46.67 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 124.26 1.024 . . . . 0.0 110.497 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 58.0 t -55.35 -48.52 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.073 2.149 . . . . 0.0 114.52 -178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -84.06 -15.06 48.85 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 66.84 70.96 0.39 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.944 1.697 . . . . 0.0 113.655 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.64 -170.31 1.52 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 122.368 1.08 . . . . 0.0 111.957 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.3 m -90.08 -52.55 4.9 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.274 -2.141 . . . . 0.0 109.696 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -78.67 73.96 5.21 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.794 0.838 . . . . 0.0 112.604 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.48 129.14 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 174.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.8 t -75.71 119.13 19.32 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.244 -1.535 . . . . 0.0 110.325 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.92 70.11 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -67.31 -56.79 8.3 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.265 1.426 . . . . 0.0 110.514 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.3 m -65.46 -36.23 83.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.883 2.073 . . . . 0.0 116.324 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -45.11 -51.57 10.14 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.14 -15.88 48.78 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 117.028 2.232 . . . . 0.0 117.028 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -85.65 -43.37 13.49 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.153 -1.592 . . . . 0.0 107.32 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 t -68.07 -45.82 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 120.862 -1.148 . . . . 0.0 113.197 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -58.2 -31.76 67.62 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 123.967 0.907 . . . . 0.0 111.693 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.9 -38.62 79.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.475 -0.766 . . . . 0.0 113.043 171.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -65.75 -40.84 92.5 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.418 -2.051 . . . . 0.0 114.534 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 33.0 mtt -56.51 -30.55 63.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.89 -39.08 22.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.417 1.087 . . . . 0.0 113.421 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.75 -52.5 24.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 124.5 2.095 . . . . 0.0 112.224 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.7 -22.65 34.44 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.325 1.45 . . . . 0.0 113.053 -174.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.52 66.33 0.25 Allowed 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 127.088 2.155 . . . . 0.0 109.484 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -63.32 126.2 26.67 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.76 105.0 53.75 Favored Pre-proline 0 N--CA 1.43 -1.455 0 N-CA-C 102.724 -3.065 . . . . 0.0 102.724 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -65.23 114.01 2.66 Favored 'Trans proline' 0 C--N 1.299 -2.064 0 CA-C-N 123.034 2.119 . . . . 0.0 115.478 153.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -75.55 141.34 42.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.32 1.533 . . . . 0.0 114.643 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -70.14 -32.39 70.36 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.778 -1.826 . . . . 0.0 114.202 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.29 -41.36 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-O 123.979 1.847 . . . . 0.0 113.562 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.36 -24.57 64.81 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.838 2.455 . . . . 0.0 113.027 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -80.75 -33.92 34.71 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.581 1.181 . . . . 0.0 111.944 173.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -84.49 -37.93 20.71 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 119.26 3.059 . . . . 0.0 119.26 -172.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 tp -71.16 -45.47 63.44 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.109 -2.245 . . . . 0.0 111.821 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.66 67.29 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.375 2.67 . . . . 0.0 110.314 166.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.07 -54.82 0.8 Allowed Glycine 0 N--CA 1.43 -1.705 0 N-CA-C 121.699 3.44 . . . . 0.0 121.699 162.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -101.3 -178.87 3.87 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.508 2.781 . . . . 0.0 118.508 -161.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -145.15 116.47 7.98 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.769 1.228 . . . . 0.0 110.434 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 84.5 p -93.35 -174.15 3.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 124.97 1.308 . . . . 0.0 110.233 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--O 1.259 1.589 0 C-N-CA 125.736 1.614 . . . . 0.0 115.03 -178.62 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.854 1 C3'-C2'-C1' 97.027 -4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.943 0 O5'-C5'-C4' 114.785 3.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O4'-C1'-C2' 102.225 -3.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.908 0 P-O5'-C5' 114.954 -3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.844 0 O5'-C5'-C4' 115.22 3.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.879 0 OP1-P-OP2 115.515 -2.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.844 0 P-O5'-C5' 116.397 -2.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 0 O5'-C5'-C4' 115.356 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.951 0 O4'-C1'-N19 110.172 2.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 C5'-C4'-C3' 108.743 -3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.998 0 O5'-C5'-C4' 114.254 2.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.94 0 O5'-C5'-C4' 114.041 2.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . 0.402 " H2'" ' C6 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.539 2.081 3 O4'-C1'-N19 113.052 6.565 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . 0.402 ' C6 ' " H2'" ' C' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.91 0 OP1-P-OP2 115.26 -2.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.928 0 O4'-C1'-C2' 103.065 -2.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.984 0 O4'-C1'-C2' 101.795 -3.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.942 0 O5'-C5'-C4' 114.511 3.079 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.899 0 O4'-C1'-C2' 101.782 -3.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.848 0 OP1-P-OP2 115.827 -2.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.897 1 O4'-C1'-N19 111.108 4.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.789 0 O4'-C1'-N19 109.969 2.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.931 0 C4'-C3'-C2' 100.209 -2.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.001 0 O4'-C1'-C2' 102.135 -3.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O4'-C1'-C2' 102.833 -2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 O4'-C1'-C2' 102.301 -3.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.852 0 P-O5'-C5' 114.874 -3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 0 O5'-C5'-C4' 114.46 3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.802 0 O5'-C5'-C4' 113.793 2.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.952 0 O4'-C1'-N19 110.218 3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.007 0 O5'-C5'-C4' 115.287 3.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.842 0 C3'-C2'-C1' 98.166 -3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.002 0 C5'-C4'-C3' 108.824 -3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.902 0 OP1-P-OP2 116.067 -2.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.895 0 O5'-C5'-C4' 115.636 3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.405 " H2'" ' C6 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.538 1.959 3 O4'-C1'-N19 112.385 5.732 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.405 ' C6 ' " H2'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 1.972 0 O5'-C5'-C4' 114.634 3.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.4 H2'' ' C8 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.537 1.872 0 O5'-C5'-C4' 114.566 3.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.4 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 1.954 1 O4'-C1'-C2' 101.042 -4.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 O5'-C5'-C4' 113.861 2.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.948 0 O4'-C1'-C2' 102.963 -2.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 O5'-C5'-C4' 113.875 2.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.811 0 O4'-C1'-N19 110.493 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.798 0 O5'-C5'-C4' 114.698 3.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 0 C4'-C3'-C2' 100.522 -2.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 CA--C 1.49 -1.327 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -91.62 148.76 38.02 Favored Pre-proline 0 N--CA 1.43 -1.458 0 O-C-N 120.256 -1.528 . . . . 0.0 107.762 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -54.4 155.69 15.79 Favored 'Trans proline' 0 N--CA 1.434 -2.003 0 N-CA-C 118.885 2.61 . . . . 0.0 118.885 156.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.3 t -140.69 163.16 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -126.42 162.2 26.13 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 119.783 1.174 . . . . 0.0 109.84 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -51.48 -31.49 23.68 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.654 1.982 . . . . 0.0 115.485 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -72.97 -37.87 66.91 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.517 1.927 . . . . 0.0 111.799 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -69.11 -38.96 79.19 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.403 1.481 . . . . 0.0 111.246 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.423 HG23 ' CG ' ' A' ' 47' ' ' TYR . 14.9 t -69.42 -44.65 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.545 1.938 . . . . 0.0 111.296 173.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -52.44 65.37 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.115 1.366 . . . . 0.0 113.458 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.57 -40.57 92.15 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.02 1.328 . . . . 0.0 113.572 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.407 ' CE1' ' HG3' ' A' ' 44' ' ' GLU . 53.6 t80 -64.22 -48.47 75.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.736 -1.228 . . . . 0.0 113.6 176.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -76.88 -14.76 59.85 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.833 -1.792 . . . . 0.0 112.802 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.12 36.44 10.0 Favored Glycine 0 N--CA 1.43 -1.717 0 O-C-N 120.165 -1.585 . . . . 0.0 113.568 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.94 -171.21 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 125.042 1.337 . . . . 0.0 111.424 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.4 t -97.86 167.47 10.91 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.945 1.355 . . . . 0.0 110.138 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -73.14 -26.43 61.21 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.878 -1.764 . . . . 0.0 112.189 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.99 -40.09 87.31 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.979 1.311 . . . . 0.0 112.116 170.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.0 m -60.43 -44.16 96.07 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.929 2.092 . . . . 0.0 111.512 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.68 -61.07 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 126.592 1.957 . . . . 0.0 115.105 173.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -52.33 -33.78 44.2 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -23.03 64.99 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.093 -1.629 . . . . 0.0 114.759 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 t -90.44 -51.05 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.468 -1.395 . . . . 0.0 109.701 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.4 t -52.86 -49.68 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 129.186 2.995 . . . . 0.0 114.359 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.75 -1.82 29.23 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.922 1.289 . . . . 0.0 114.443 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.256 77.0 mt-30 62.53 56.56 2.02 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.03 -164.63 0.84 Allowed 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.601 -1.312 . . . . 0.0 111.285 176.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -112.57 -72.19 0.72 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.563 -1.336 . . . . 0.0 113.554 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -71.29 82.89 0.76 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 120.014 3.338 . . . . 0.0 120.014 -167.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.3 t -133.42 -80.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 N-CA-C 104.771 -2.307 . . . . 0.0 104.771 167.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -179.04 -169.97 0.17 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 101.161 -3.644 . . . . 0.0 101.161 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.43 -30.56 3.64 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 122.036 2.198 . . . . 0.0 114.676 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -67.42 -52.73 36.2 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.6 m -48.4 -40.62 26.41 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 127.068 2.147 . . . . 0.0 116.338 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -29.86 -52.98 0.14 Allowed 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 118.372 2.731 . . . . 0.0 118.372 169.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.31 -21.94 66.78 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.18 2.192 . . . . 0.0 116.755 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -82.98 -36.99 24.64 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.875 1.67 . . . . 0.0 108.97 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.1 t -67.14 -41.08 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 121.774 -0.579 . . . . 0.0 112.143 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -51.82 -31.2 26.49 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.89 70.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.881 1.272 . . . . 0.0 113.607 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.48 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -62.24 -38.66 90.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.499 -2.001 . . . . 0.0 115.698 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.0 mtt -53.22 -31.1 41.51 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.05 -26.4 23.73 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.035 1.334 . . . . 0.0 113.642 -172.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HG3' ' CE1' ' A' ' 12' ' ' TYR . 4.8 mm-40 -76.67 -57.98 3.54 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-O 123.448 1.594 . . . . 0.0 111.911 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -75.98 -22.63 55.67 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 127.148 2.179 . . . . 0.0 114.547 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.95 65.68 0.17 Allowed 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 127.115 2.166 . . . . 0.0 108.597 -173.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.423 ' CG ' HG23 ' A' ' 9' ' ' VAL . 11.4 t80 -62.94 121.32 13.23 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.0 109.4 63.07 Favored Pre-proline 0 N--CA 1.43 -1.455 0 N-CA-C 103.131 -2.914 . . . . 0.0 103.131 170.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -65.42 135.36 42.37 Favored 'Trans proline' 0 C--N 1.299 -2.03 0 CA-C-N 122.695 1.998 . . . . 0.0 114.603 151.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -93.31 133.88 36.09 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.803 -1.186 . . . . 0.0 108.442 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -72.96 -15.19 61.56 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.142 -1.598 . . . . 0.0 111.865 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.8 t -64.77 -47.94 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 127.354 2.261 . . . . 0.0 111.816 171.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.48 -24.19 65.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.438 1.895 . . . . 0.0 113.037 174.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -83.32 -16.08 47.58 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.88 -1.763 . . . . 0.0 112.512 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -101.67 -40.58 6.92 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.2 tp -65.43 -43.73 89.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.983 -1.698 . . . . 0.0 113.738 -177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.47 -73.4 0.17 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.377 1.071 . . . . 0.0 108.734 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 12.41 53.32 0.01 OUTLIER Glycine 0 N--CA 1.429 -1.802 1 C-N-CA 131.969 4.604 . . . . 0.0 121.461 174.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.46 137.68 54.65 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 49.33 54.83 10.29 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 128.089 2.555 . . . . 0.0 115.489 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.9 t -100.7 125.74 47.17 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.013 -1.055 . . . . 0.0 110.854 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.26 1.641 0 C-N-CA 124.936 1.294 . . . . 0.0 108.569 -177.761 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 CA--C 1.49 -1.355 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -108.98 150.96 41.61 Favored Pre-proline 0 N--CA 1.431 -1.411 0 C-N-CA 125.086 1.354 . . . . 0.0 110.403 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -87.18 147.36 7.75 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 N-CA-C 106.464 -2.168 . . . . 0.0 106.464 -157.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.91 166.39 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 126.388 1.875 . . . . 0.0 106.036 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -124.89 159.52 30.94 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.851 -1.156 . . . . 0.0 108.13 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -49.49 -34.07 16.09 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 169.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -72.16 -34.01 68.15 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.653 1.981 . . . . 0.0 113.071 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -72.76 -39.9 66.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 122.328 1.061 . . . . 0.0 110.392 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.5 -44.18 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 126.102 1.761 . . . . 0.0 111.086 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.52 73.3 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.69 -40.51 92.45 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.576 -1.328 . . . . 0.0 113.287 175.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.476 ' CE1' ' HG3' ' B' ' 44' ' ' GLU . 50.5 t80 -63.29 -47.96 80.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.235 -1.541 . . . . 0.0 113.495 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -77.44 -13.6 59.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.583 -1.323 . . . . 0.0 113.432 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.29 33.81 22.02 Favored Glycine 0 N--CA 1.429 -1.78 0 C-N-CA 125.488 1.518 . . . . 0.0 113.927 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 26.2 m -127.58 -174.04 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.862 1.665 . . . . 0.0 112.083 -175.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 32.3 t -95.02 168.37 10.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 123.604 1.668 . . . . 0.0 110.687 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -75.52 -24.89 56.84 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.766 -1.833 . . . . 0.0 112.493 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -68.09 -41.65 81.54 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.459 1.504 . . . . 0.0 110.559 170.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.1 m -59.68 -43.8 93.88 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 125.797 1.639 . . . . 0.0 112.052 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.46 -61.06 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 126.336 1.854 . . . . 0.0 115.342 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.2 t -55.68 -31.96 62.85 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -21.68 63.84 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.144 -1.598 . . . . 0.0 114.601 172.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.58 -51.17 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 120.111 -1.618 . . . . 0.0 109.163 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 t -51.39 -52.47 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 129.037 2.935 . . . . 0.0 114.465 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.89 -4.05 28.52 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.26 76.4 mt-30 64.0 67.91 0.59 Allowed 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.45 -151.5 0.23 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.275 -1.516 . . . . 0.0 111.106 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.9 m -124.94 -75.17 0.6 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.769 -1.207 . . . . 0.0 112.233 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -70.6 83.34 0.61 Allowed 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 119.294 3.072 . . . . 0.0 119.294 -168.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.19 -74.75 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 168.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 29.8 t 173.71 -173.25 0.05 Allowed 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 101.219 -3.623 . . . . 0.0 101.219 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -122.73 -25.05 4.73 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -70.82 -54.78 10.3 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.489 -1.382 . . . . 0.0 113.698 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 7.7 m -47.56 -41.34 21.16 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.901 2.08 . . . . 0.0 116.304 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -30.0 -51.04 0.12 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 118.632 2.827 . . . . 0.0 118.632 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.11 -24.76 67.52 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -80.48 -34.23 35.99 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.98 1.712 . . . . 0.0 109.769 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 t -70.69 -40.92 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.228 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -52.32 -33.01 40.61 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 122.432 1.11 . . . . 0.0 113.343 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.28 73.39 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.706 1.202 . . . . 0.0 114.228 174.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -64.83 -43.0 94.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.472 -1.392 . . . . 0.0 114.671 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 43.7 mtt -48.13 -34.05 9.25 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 126.249 1.82 . . . . 0.0 114.78 171.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.9 -25.4 35.0 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -174.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.476 ' HG3' ' CE1' ' B' ' 12' ' ' TYR . 5.7 mm-40 -78.94 -61.2 2.09 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.338 -1.476 . . . . 0.0 111.377 -176.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.25 -16.59 54.38 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.052 1.741 . . . . 0.0 113.202 -175.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.14 63.23 0.1 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.316 2.246 . . . . 0.0 109.506 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -59.69 120.76 10.09 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.29 101.13 33.26 Favored Pre-proline 0 N--CA 1.43 -1.435 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -61.83 129.92 29.3 Favored 'Trans proline' 0 C--N 1.3 -2.009 0 CA-C-N 123.827 2.403 . . . . 0.0 115.459 152.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -91.12 134.81 34.22 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 121.078 -1.014 . . . . 0.0 109.321 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -70.65 -14.44 62.47 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.369 -1.457 . . . . 0.0 113.789 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 9.8 t -65.23 -49.0 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 127.921 2.488 . . . . 0.0 111.375 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.18 -21.81 65.77 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 124.338 2.018 . . . . 0.0 113.451 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -84.69 -19.16 33.26 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.337 -1.477 . . . . 0.0 111.11 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -100.09 -36.88 9.18 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 56' ' ' LEU . 10.6 tp -68.63 -42.69 77.71 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 120.934 1.697 . . . . 0.0 113.515 -176.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -75.75 0.11 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.285 1.434 . . . . 0.0 109.065 167.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 15.28 53.48 0.01 OUTLIER Glycine 0 N--CA 1.43 -1.749 1 C-N-CA 130.766 4.031 . . . . 0.0 121.558 173.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -68.6 136.32 52.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 48.36 54.62 10.09 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 127.81 2.444 . . . . 0.0 116.189 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 21.7 t -97.52 117.12 31.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.922 1.289 . . . . 0.0 110.919 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.26 1.611 0 C-N-CA 124.321 1.048 . . . . 0.0 111.741 -177.719 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.776 0 O5'-C5'-C4' 114.532 3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.843 0 C3'-C2'-C1' 97.285 -3.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.799 0 O5'-C5'-C4' 114.982 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.872 0 O4'-C1'-C2' 102.478 -3.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.95 0 O5'-C5'-C4' 115.109 3.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.966 0 O5'-C5'-C4' 114.185 2.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.894 0 O4'-C1'-C2' 102.934 -2.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.85 0 C3'-C2'-C1' 99.048 -2.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.0 1 O4'-C1'-C2' 101.041 -4.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.918 0 O4'-C1'-C2' 102.624 -3.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 0 O4'-C1'-N19 105.331 -3.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.016 0 O5'-C5'-C4' 113.866 2.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.917 2 C5'-C4'-C3' 107.34 -4.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.968 0 C5'-C4'-C3' 110.282 -2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.928 0 O5'-C5'-C4' 114.074 2.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 0 P-O5'-C5' 117.392 -2.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.888 0 OP1-P-OP2 115.008 -3.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 O4'-C1'-C2' 102.19 -3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 O4'-C1'-C2' 103.174 -2.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.986 0 O5'-C5'-C4' 114.619 3.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.969 0 OP1-P-OP2 113.778 -3.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.991 0 OP1-P-OP2 115.87 -2.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.887 0 O5'-C5'-C4' 115.307 3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.903 0 O5'-C5'-C4' 115.678 3.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.954 0 OP1-P-OP2 115.211 -2.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.0 1 O5'-C5'-C4' 115.883 4.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 0 OP1-P-OP2 114.806 -3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 0 O4'-C1'-C2' 102.391 -3.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O4'-C1'-N19 110.945 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.851 0 O5'-C5'-C4' 114.787 3.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.963 0 O4'-C1'-C2' 101.702 -3.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.805 0 O5'-C5'-C4' 114.322 2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.918 0 OP1-P-OP2 115.511 -2.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.415 H2'' ' C6 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.536 1.832 0 O4'-C1'-N19 110.17 2.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.415 ' C6 ' H2'' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.903 2 O4'-C1'-N19 112.695 6.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.925 0 O5'-C5'-C4' 113.944 2.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 OP1-P-OP2 116.006 -2.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 O4'-C1'-C2' 103.378 -2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.025 0 P-O5'-C5' 115.818 -3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 O4'-C1'-C2' 101.997 -3.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.843 0 O4'-C1'-C2' 102.869 -2.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 O4'-C1'-C2' 103.1 -2.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.948 0 O4'-C1'-N19 109.716 2.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.847 0 O5'-C5'-C4' 113.61 2.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 ttp . . . . . 0 CA--C 1.49 -1.333 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -94.71 -52.05 0.24 Allowed Pre-proline 0 N--CA 1.43 -1.447 0 CA-C-O 116.695 -1.622 . . . . 0.0 113.13 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.43 160.21 49.26 Favored 'Trans proline' 0 N--CA 1.433 -2.043 0 CA-C-N 124.512 2.647 . . . . 0.0 111.95 141.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.5 t -120.7 160.79 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 101.74 -3.43 . . . . 0.0 101.74 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -121.04 158.39 27.93 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.011 -1.681 . . . . 0.0 109.678 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.402 HD21 ' H ' ' A' ' 7' ' ' TYR . 1.1 pt? -49.34 -31.85 10.11 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.381 1.872 . . . . 0.0 114.863 171.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.402 ' H ' HD21 ' A' ' 6' ' ' LEU . 78.6 m-85 -71.13 -40.74 71.24 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 125.791 1.636 . . . . 0.0 112.45 175.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -68.23 -39.25 82.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.817 1.247 . . . . 0.0 110.38 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 t -64.78 -45.91 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 126.608 1.963 . . . . 0.0 111.243 172.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.24 70.91 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 125.714 1.605 . . . . 0.0 114.378 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -61.12 -36.23 79.18 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.935 1.294 . . . . 0.0 114.04 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -67.38 -49.18 64.99 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.266 -0.896 . . . . 0.0 113.001 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' HB1' ' HB3' ' A' ' 41' ' ' ALA . . . -75.28 -21.83 58.21 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.338 -2.101 . . . . 0.0 112.699 -178.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.9 34.97 6.97 Favored Glycine 0 N--CA 1.43 -1.715 0 O-C-N 119.9 -1.75 . . . . 0.0 113.595 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.71 -165.4 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 124.645 1.178 . . . . 0.0 111.3 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.2 t -98.93 162.34 13.14 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 123.073 1.416 . . . . 0.0 108.546 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -66.66 -33.95 76.79 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.991 -1.693 . . . . 0.0 112.8 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -70.11 -30.1 67.21 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.005 -1.685 . . . . 0.0 113.738 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.2 m -61.52 -42.63 99.09 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.057 1.343 . . . . 0.0 110.739 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -58.64 -59.21 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 125.242 1.417 . . . . 0.0 113.627 171.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.7 m -55.44 -25.77 38.16 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 118.62 2.822 . . . . 0.0 118.62 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -71.77 -23.97 61.68 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.049 -1.657 . . . . 0.0 111.999 173.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -84.48 -48.62 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-O 123.889 1.804 . . . . 0.0 110.14 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 47.7 t -54.81 -43.34 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 128.336 2.654 . . . . 0.0 113.07 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -84.21 -4.92 59.14 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 60.94 54.4 3.45 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.79 1.636 . . . . 0.0 114.811 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.44 -179.08 7.3 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.6 m -78.72 -59.55 2.74 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.605 -1.309 . . . . 0.0 112.844 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -79.55 72.58 6.22 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.5 t -114.21 135.26 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 127.649 2.379 . . . . 0.0 106.488 173.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.2 t -84.08 132.06 34.74 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 121.3 -0.875 . . . . 0.0 109.228 177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -33.53 73.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -70.32 -56.27 7.12 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-O 123.11 1.433 . . . . 0.0 110.693 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -57.71 -37.09 72.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.691 1.996 . . . . 0.0 114.778 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -49.83 -48.23 51.02 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.93 -10.55 29.82 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -95.24 -43.11 8.21 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.723 -1.236 . . . . 0.0 108.904 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.85 -46.87 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 124.636 1.174 . . . . 0.0 113.025 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -56.4 -35.05 67.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.951 1.3 . . . . 0.0 111.972 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.17 -37.18 72.2 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.483 1.513 . . . . 0.0 113.293 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB3' ' HB1' ' A' ' 13' ' ' ALA . . . -64.05 -41.77 97.27 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.055 -1.653 . . . . 0.0 114.4 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.1 mtt -57.59 -27.85 63.09 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 120.654 -1.279 . . . . 0.0 113.649 171.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.84 -31.86 20.58 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 123.954 0.902 . . . . 0.0 113.32 -172.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -72.18 -59.33 2.79 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 123.145 1.45 . . . . 0.0 112.09 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.84 -24.13 58.55 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.197 1.799 . . . . 0.0 114.285 -176.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 72.11 67.9 0.14 Allowed 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.727 2.411 . . . . 0.0 109.396 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -63.08 115.25 4.28 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.12 108.2 60.74 Favored Pre-proline 0 N--CA 1.43 -1.452 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 167.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -65.65 152.05 82.84 Favored 'Trans proline' 0 N--CA 1.434 -2.026 0 CA-C-N 123.913 2.433 . . . . 0.0 118.404 155.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -96.41 142.46 28.49 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.805 1.288 . . . . 0.0 109.004 175.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -82.36 -23.06 35.21 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 118.927 -2.358 . . . . 0.0 112.729 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -57.14 -41.29 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 C-N-CA 127.822 2.449 . . . . 0.0 111.049 170.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -24.33 66.42 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.703 2.801 . . . . 0.0 114.464 176.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -88.51 -32.11 18.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.429 -1.42 . . . . 0.0 112.101 174.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -80.47 -46.04 16.56 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 116.534 2.05 . . . . 0.0 116.534 -172.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.81 -46.13 79.77 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.902 -1.749 . . . . 0.0 112.099 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.91 -44.89 50.49 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 130.012 3.325 . . . . 0.0 113.213 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.48 71.49 1.29 Allowed Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 123.482 0.563 . . . . 0.0 113.778 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -64.46 133.23 52.06 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 123.01 1.386 . . . . 0.0 112.93 169.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -73.81 131.6 41.71 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.696 1.598 . . . . 0.0 114.518 -173.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 p -79.01 -50.72 10.65 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.679 1.992 . . . . 0.0 113.691 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.494 ' H ' HD22 ' A' ' 62' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.259 1.599 0 C-N-CA 127.148 2.179 . . . . 0.0 115.741 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.2 ttp . . . . . 0 CA--C 1.49 -1.329 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -85.17 -53.68 0.46 Allowed Pre-proline 0 N--CA 1.429 -1.486 0 O-C-N 120.087 -1.633 . . . . 0.0 113.714 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.73 165.19 31.76 Favored 'Trans proline' 0 N--CA 1.433 -2.056 0 CA-C-N 124.932 2.797 . . . . 0.0 111.966 144.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.9 t -125.41 164.18 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 100.819 -3.771 . . . . 0.0 100.819 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 19.4 p -124.81 160.37 28.88 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.764 -1.835 . . . . 0.0 108.146 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' B' ' 17' ' ' TYR . 1.4 pt? -51.37 -30.63 19.51 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 171.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -70.23 -39.77 74.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.96 1.704 . . . . 0.0 111.22 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.33 -34.51 74.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.77 1.228 . . . . 0.0 113.074 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 t -66.79 -47.02 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.506 0 C-N-CA 126.966 2.106 . . . . 0.0 109.908 171.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.74 68.54 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -58.66 -39.09 79.64 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.115 1.766 . . . . 0.0 112.564 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -67.98 -48.16 66.58 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.106 -1.621 . . . . 0.0 114.368 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -74.88 -20.73 59.6 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.551 -1.343 . . . . 0.0 113.226 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.54 29.94 15.03 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 124.962 1.268 . . . . 0.0 112.567 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.4 m -121.26 -176.39 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 C-N-CA 126.121 1.768 . . . . 0.0 111.364 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.5 t -84.44 163.2 19.62 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 123.762 1.744 . . . . 0.0 110.321 170.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.447 ' HB2' ' HG ' ' B' ' 6' ' ' LEU . 48.0 p90 -69.89 -32.5 70.86 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.163 -2.211 . . . . 0.0 112.24 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -69.65 -34.3 73.81 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.327 -1.483 . . . . 0.0 112.247 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 85.2 m -59.87 -44.01 94.4 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.624 1.969 . . . . 0.0 110.673 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 65.7 t -57.12 -62.01 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.88 1.272 . . . . 0.0 113.611 170.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -54.64 -28.2 45.24 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 118.726 2.861 . . . . 0.0 118.726 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -69.12 -21.47 64.03 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.57 -1.956 . . . . 0.0 114.017 172.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -85.83 -45.06 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 O-C-N 120.458 -1.402 . . . . 0.0 109.688 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.52 -46.58 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 128.132 2.573 . . . . 0.0 113.31 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -79.78 -2.52 43.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.62 -1.3 . . . . 0.0 113.686 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 56.8 61.64 2.55 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.063 2.145 . . . . 0.0 113.768 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.27 -176.91 5.83 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 123.273 1.511 . . . . 0.0 114.332 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -78.98 -62.83 1.57 Allowed 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.616 -1.302 . . . . 0.0 114.216 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -81.1 71.69 8.09 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.218 1.485 . . . . 0.0 114.862 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.8 t -111.95 139.01 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 104.296 -2.483 . . . . 0.0 104.296 172.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.2 t -88.16 138.3 31.57 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-O 122.14 0.971 . . . . 0.0 109.006 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.83 71.84 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.609 -1.307 . . . . 0.0 114.409 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -72.52 -52.95 13.47 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.286 -1.509 . . . . 0.0 111.142 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.4 m -61.67 -38.32 87.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.597 1.959 . . . . 0.0 115.177 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -50.87 -47.68 60.41 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.1 -11.14 12.5 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.032 2.133 . . . . 0.0 115.766 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -96.11 -41.53 8.68 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.131 -1.606 . . . . 0.0 109.117 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 22.7 t -68.67 -47.22 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 121.375 -0.828 . . . . 0.0 113.021 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -57.54 -32.19 66.84 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.445 1.498 . . . . 0.0 110.816 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.4 -31.57 62.38 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.525 1.13 . . . . 0.0 113.198 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -67.98 -43.62 78.54 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.724 -1.86 . . . . 0.0 113.638 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 34.8 mtt -53.82 -28.92 38.38 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.288 1.835 . . . . 0.0 114.077 170.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.89 -37.03 24.82 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.17 -62.3 1.44 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.627 -1.296 . . . . 0.0 112.761 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.3 -18.22 53.08 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.252 0.3 OUTLIER 71.09 67.21 0.17 Allowed 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 127.05 2.14 . . . . 0.0 111.459 -178.22 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -59.84 118.39 6.14 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.59 105.22 56.92 Favored Pre-proline 0 N--CA 1.43 -1.441 0 N-CA-C 104.214 -2.513 . . . . 0.0 104.214 168.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -61.71 145.26 97.53 Favored 'Trans proline' 0 C--N 1.3 -2.019 0 N-CA-C 118.923 2.624 . . . . 0.0 118.923 154.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -90.24 144.72 25.59 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 122.73 1.252 . . . . 0.0 110.064 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -81.41 -23.63 37.46 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.184 -2.198 . . . . 0.0 111.949 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 t -56.69 -42.46 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 127.274 2.229 . . . . 0.0 112.253 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.49 68.34 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 128.665 2.786 . . . . 0.0 114.465 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -87.54 -31.32 19.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.913 -1.117 . . . . 0.0 112.044 174.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -81.08 -42.52 20.87 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -173.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -67.65 -46.77 71.45 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.166 -1.584 . . . . 0.0 110.9 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.77 -44.62 38.97 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 129.926 3.29 . . . . 0.0 113.265 169.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.38 68.32 1.38 Allowed Glycine 0 N--CA 1.43 -1.706 0 O-C-N 121.326 -0.859 . . . . 0.0 114.057 171.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -61.1 129.05 39.41 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 122.799 1.285 . . . . 0.0 113.561 171.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -67.81 129.7 40.71 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -173.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.1 p -79.77 -54.01 6.25 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.522 HD22 ' H ' ' B' ' 62' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.261 1.683 0 N-CA-C 117.412 2.375 . . . . 0.0 117.412 -175.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.032 0 O4'-C1'-N19 110.606 3.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.895 0 O5'-C5'-C4' 115.18 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 1 O5'-C5'-C4' 116.168 4.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.952 0 O5'-C5'-C4' 115.033 3.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 O4'-C1'-N19 109.914 2.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.84 0 O5'-C5'-C4' 114.457 3.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.011 0 O5'-C5'-C4' 114.931 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.896 0 O4'-C1'-C2' 102.082 -3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.973 0 O4'-C1'-C2' 103.537 -2.33 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.929 0 O4'-C1'-C2' 102.446 -3.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.908 0 O4'-C1'-N19 105.504 -2.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.923 0 O4'-C1'-N19 110.438 3.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 3 O4'-C1'-N19 112.378 5.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 C5'-C4'-C3' 110.654 -2.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.963 0 P-O3'-C3' 123.299 2.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.924 0 C3'-C2'-C1' 98.386 -3.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 C5'-C4'-C3' 111.646 -2.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.928 0 O5'-C5'-C4' 115.021 3.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.961 0 O4'-C1'-C2' 103.125 -2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 OP1-P-OP2 114.4 -3.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O5'-C5'-C4' 114.747 3.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.934 0 OP1-P-OP2 114.788 -3.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.952 1 O4'-C1'-N19 111.144 4.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.017 0 C3'-C2'-C1' 97.915 -3.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.999 0 O4'-C1'-C2' 101.83 -3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 1 O5'-C5'-C4' 115.85 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.916 0 O4'-C1'-C2' 102.198 -3.547 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 1 P-O3'-C3' 124.722 4.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.939 0 P-O5'-C5' 116.204 -2.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.773 0 OP1-P-OP2 115.512 -2.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.924 0 OP1-P-OP2 115.609 -2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.966 0 O4'-C1'-C2' 102.332 -3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.958 0 C3'-C2'-C1' 106.17 2.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.923 1 O4'-C1'-N19 111.07 4.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.982 4 O4'-C1'-N19 115.277 9.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.842 0 C5'-C4'-C3' 109.395 -3.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 OP1-P-OP2 114.991 -3.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 0 O4'-C1'-C2' 102.569 -3.21 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.918 0 O5'-C5'-C4' 113.966 2.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.997 0 O5'-C5'-C4' 114.658 3.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.91 0 O4'-C1'-C2' 102.485 -3.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.96 0 O4'-C1'-N19 110.12 2.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 OP1-P-OP2 114.619 -3.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.855 0 C3'-C2'-C1' 106.014 2.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 CA--C 1.491 -1.324 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -85.49 153.82 58.95 Favored Pre-proline 0 N--CA 1.43 -1.465 0 O-C-N 120.869 -1.144 . . . . 0.0 113.8 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -70.64 130.64 18.58 Favored 'Trans proline' 0 N--CA 1.433 -2.037 0 CA-C-N 122.248 1.839 . . . . 0.0 110.972 144.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.15 163.89 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 106.498 -1.668 . . . . 0.0 106.498 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.1 p -133.03 160.99 35.55 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 176.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -29.56 25.62 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 172.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -70.56 -38.07 74.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.901 2.08 . . . . 0.0 111.907 175.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.38 -38.2 77.91 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.777 1.631 . . . . 0.0 111.171 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 t -64.5 -46.79 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 127.201 2.2 . . . . 0.0 110.816 170.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -51.37 69.92 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.97 -35.2 77.77 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.171 1.388 . . . . 0.0 114.042 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -69.61 -47.55 63.1 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.246 -1.534 . . . . 0.0 113.285 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -77.64 -17.71 57.48 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.973 -1.704 . . . . 0.0 113.326 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.92 45.45 7.66 Favored Glycine 0 N--CA 1.431 -1.682 0 O-C-N 120.333 -1.479 . . . . 0.0 112.271 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -135.79 -178.04 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.77 1.628 . . . . 0.0 110.647 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.0 p -86.86 166.1 15.44 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.52 -1.362 . . . . 0.0 111.85 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.317 21.2 p90 -63.93 -40.47 96.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.585 -1.947 . . . . 0.0 114.741 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -78.52 -9.52 59.36 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.983 -2.323 . . . . 0.0 115.154 173.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.8 m -72.11 -35.22 69.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 123.399 1.571 . . . . 0.0 110.261 171.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.85 -58.81 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 118.797 -2.439 . . . . 0.0 112.938 171.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.2 p -56.96 -31.31 64.86 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.506 2.039 . . . . 0.0 116.506 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -55.91 -29.58 60.28 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.956 1.702 . . . . 0.0 114.168 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.9 t -88.31 -50.76 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 120.839 -1.163 . . . . 0.0 108.831 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 41.4 t -48.6 -58.32 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 127.993 2.517 . . . . 0.0 115.282 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.58 -4.93 49.99 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 66.07 73.02 0.39 Allowed 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.797 1.639 . . . . 0.0 113.757 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.51 -144.02 0.09 Allowed 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 121.221 -0.924 . . . . 0.0 111.846 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.5 p -118.79 166.4 12.84 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.062 -1.648 . . . . 0.0 111.231 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . 0.27 13.1 t60 49.58 52.05 15.27 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.941 2.097 . . . . 0.0 114.409 -170.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -80.5 114.18 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 121.332 -0.855 . . . . 0.0 110.401 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.1 t -75.43 130.25 38.65 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.579 -1.326 . . . . 0.0 110.313 173.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.6 -36.16 82.91 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.293 1.437 . . . . 0.0 113.446 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -63.07 -52.84 61.15 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.572 -1.955 . . . . 0.0 111.414 174.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.0 m -68.73 -38.0 79.85 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -47.07 -48.79 22.45 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.924 -1.735 . . . . 0.0 115.023 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -71.43 -9.77 58.7 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -87.44 -41.01 13.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.053 1.341 . . . . 0.0 108.284 175.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.22 -41.49 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 121.061 -1.024 . . . . 0.0 112.578 176.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -54.91 -37.56 66.5 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.389 1.076 . . . . 0.0 112.412 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.55 75.09 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 121.1 -1.0 . . . . 0.0 113.646 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -68.93 -41.87 77.53 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.765 -1.834 . . . . 0.0 114.036 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 30.7 mtt -54.99 -25.16 28.02 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 126.604 1.962 . . . . 0.0 115.43 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.5 -41.57 14.26 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 122.028 0.918 . . . . 0.0 112.099 -174.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -67.43 -59.88 3.03 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 124.127 1.918 . . . . 0.0 113.105 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.16 -20.75 44.15 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.816 -173.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 72.2 66.81 0.13 Allowed 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 128.372 2.669 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.68 132.57 21.7 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -102.89 102.45 27.32 Favored Pre-proline 0 N--CA 1.43 -1.469 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.59 112.47 1.97 Allowed 'Trans proline' 0 N--CA 1.434 -1.976 0 CA-C-N 122.795 2.034 . . . . 0.0 114.493 153.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -86.86 120.2 27.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.618 1.567 . . . . 0.0 108.39 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -80.75 -18.87 46.33 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.203 -1.561 . . . . 0.0 112.917 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.6 t -62.71 -45.88 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.629 1.571 . . . . 0.0 111.737 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.71 77.61 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 128.113 2.565 . . . . 0.0 113.214 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -63.51 -29.06 70.39 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 126.456 1.903 . . . . 0.0 114.075 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -83.96 -40.26 18.7 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.571 -1.33 . . . . 0.0 112.172 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 56' ' ' LEU . 9.8 tp -68.16 -41.33 81.68 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.737 -1.227 . . . . 0.0 113.642 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.58 89.78 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.327 1.451 . . . . 0.0 110.243 170.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.49 -34.69 3.27 Favored Glycine 0 N--CA 1.43 -1.741 0 N-CA-C 121.649 3.42 . . . . 0.0 121.649 161.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.17 171.4 8.86 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -175.62 76.16 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 m -74.98 78.58 2.18 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 126.346 1.859 . . . . 0.0 115.02 -170.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.26 1.657 0 C-N-CA 125.377 1.471 . . . . 0.0 113.622 178.406 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.5 ttm . . . . . 0 CA--C 1.49 -1.33 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -80.2 160.68 67.6 Favored Pre-proline 0 N--CA 1.43 -1.449 0 O-C-N 120.252 -1.53 . . . . 0.0 114.11 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -73.56 139.59 28.57 Favored 'Trans proline' 0 C--N 1.3 -2.003 0 C-N-CA 123.342 2.694 . . . . 0.0 110.761 143.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 t -131.57 160.84 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.2 p -129.88 163.62 25.93 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.23 -1.544 . . . . 0.0 108.048 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.67 -32.35 29.35 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 171.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -68.54 -38.51 80.89 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.926 1.691 . . . . 0.0 112.074 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.91 -39.38 76.21 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.287 -1.508 . . . . 0.0 111.174 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 t -62.29 -45.35 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 126.472 1.909 . . . . 0.0 110.826 172.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.5 -54.66 43.16 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.107 1.763 . . . . 0.0 115.511 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -59.96 -37.97 81.13 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 125.053 1.341 . . . . 0.0 113.193 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -68.39 -48.6 64.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 119.36 0.982 . . . . 0.0 112.767 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -75.28 -22.94 57.4 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.355 -2.09 . . . . 0.0 112.217 -175.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.69 41.19 6.49 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 120.459 -1.401 . . . . 0.0 111.888 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.01 -174.07 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 125.107 1.363 . . . . 0.0 109.638 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 84.8 p -90.73 165.26 13.77 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 122.637 1.208 . . . . 0.0 111.331 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . 0.26 17.7 p90 -66.13 -39.28 89.76 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.105 -2.247 . . . . 0.0 114.172 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -74.42 -17.8 60.74 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.978 -1.701 . . . . 0.0 114.585 172.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 55.3 m -67.87 -34.31 76.43 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.791 -1.818 . . . . 0.0 110.777 173.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.85 -59.98 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 O-C-N 120.836 -1.165 . . . . 0.0 112.389 170.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -57.61 -32.62 67.39 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -51.75 -31.27 25.98 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.856 1.662 . . . . 0.0 115.016 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.89 -50.16 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.204 -1.56 . . . . 0.0 109.668 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 48.9 t -48.5 -58.74 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 127.915 2.486 . . . . 0.0 114.862 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -94.83 -6.66 42.32 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 121.028 -1.045 . . . . 0.0 112.884 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 67.0 83.06 0.17 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.53 1.532 . . . . 0.0 113.569 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.61 -156.97 0.51 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.933 -1.104 . . . . 0.0 110.764 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.1 p -100.83 168.94 9.33 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.727 -1.233 . . . . 0.0 111.231 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . 0.314 7.0 t60 47.68 48.96 16.91 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.744 2.418 . . . . 0.0 115.712 -174.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -75.63 118.78 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 O-C-N 120.709 -1.245 . . . . 0.0 110.873 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.0 t -81.99 129.63 34.84 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.624 -1.922 . . . . 0.0 109.648 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.36 99.59 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.465 1.506 . . . . 0.0 114.398 -176.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -61.22 -49.76 75.82 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.678 1.991 . . . . 0.0 112.924 173.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 21.7 m -64.7 -41.49 95.99 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.943 -1.723 . . . . 0.0 113.975 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -47.25 -50.58 20.93 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.674 -1.891 . . . . 0.0 114.474 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.15 -13.73 62.23 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -85.69 -41.96 14.69 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.719 -1.238 . . . . 0.0 108.733 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.26 -43.15 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.39 0 O-C-N 121.483 -0.76 . . . . 0.0 111.992 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -52.52 -36.17 54.77 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.011 1.325 . . . . 0.0 112.673 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.92 73.1 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -65.14 -42.5 93.77 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.536 -1.977 . . . . 0.0 114.538 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 33.4 mtt -53.57 -33.61 55.37 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 124.855 1.262 . . . . 0.0 113.621 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.5 37.69 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -173.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.74 -50.99 25.13 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.898 1.809 . . . . 0.0 112.526 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.04 -29.83 34.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.271 1.828 . . . . 0.0 112.476 -176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 75.05 64.61 0.07 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.531 2.332 . . . . 0.0 109.866 -176.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.99 132.35 37.5 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 116.247 1.943 . . . . 0.0 116.247 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 27.6 mm -100.32 103.2 21.76 Favored Pre-proline 0 N--CA 1.43 -1.437 0 C-N-CA 126.801 2.041 . . . . 0.0 106.567 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -63.86 114.14 2.47 Favored 'Trans proline' 0 C--N 1.299 -2.032 0 CA-C-N 123.424 2.259 . . . . 0.0 115.098 153.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -89.89 123.89 34.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.304 1.041 . . . . 0.0 109.47 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -80.88 -21.93 40.23 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.623 -1.923 . . . . 0.0 113.562 -176.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 t -59.38 -46.63 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 126.284 1.834 . . . . 0.0 111.388 172.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.86 70.26 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.916 2.487 . . . . 0.0 113.376 173.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -81.66 -22.78 37.32 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 118.901 -2.375 . . . . 0.0 111.323 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.85 -39.88 12.08 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.551 1.14 . . . . 0.0 113.126 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 tp -68.16 -39.5 82.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.623 -1.923 . . . . 0.0 114.204 -179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.84 -40.72 75.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.499 1.52 . . . . 0.0 110.04 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.63 -37.34 3.06 Favored Glycine 0 N--CA 1.429 -1.809 0 N-CA-C 121.464 3.346 . . . . 0.0 121.464 162.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.79 170.05 11.54 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -170.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -173.4 79.68 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.745 1.618 . . . . 0.0 106.912 175.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 14.4 m -73.19 69.71 1.08 Allowed 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.426 2.38 . . . . 0.0 117.426 -171.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--O 1.26 1.634 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 178.676 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.85 0 C3'-C2'-C1' 97.241 -3.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.931 0 O4'-C1'-C2' 101.85 -3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.963 0 O5'-C5'-C4' 115.48 3.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.815 0 C1'-O4'-C4' 104.95 -3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.984 1 O5'-C5'-C4' 116.092 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.883 0 O5'-C5'-C4' 115.128 3.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.8 0 O5'-C5'-C4' 113.867 2.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.885 0 O5'-C5'-C4' 115.669 3.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.872 0 O5'-C5'-C4' 113.611 2.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 O5'-C5'-C4' 114.326 2.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.901 0 O5'-C5'-C4' 114.786 3.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.963 0 O4'-C1'-C2' 103.298 -2.547 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.931 3 O4'-C1'-N19 113.567 7.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.004 0 O5'-C5'-C4' 114.589 3.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.975 0 O5'-C5'-C4' 114.315 2.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.842 0 O4'-C1'-C2' 102.12 -3.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.894 0 O5'-C5'-C4' 115.618 3.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 C5'-C4'-C3' 110.117 -3.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.982 0 P-O5'-C5' 115.522 -3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.805 0 OP1-P-OP2 114.235 -3.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.894 1 O4'-C1'-N19 112.206 5.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.901 0 O5'-C5'-C4' 113.806 2.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 0 C3'-C2'-C1' 97.697 -3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.971 0 O4'-C1'-C2' 102.611 -3.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 O5'-C5'-C4' 114.367 2.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 0 O4'-C1'-C2' 102.471 -3.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.955 1 O5'-C5'-C4' 116.072 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.973 0 O5'-C5'-C4' 114.79 3.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 0 O5'-C5'-C4' 115.473 3.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.869 0 O5'-C5'-C4' 115.547 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.925 0 O4'-C1'-C2' 102.949 -2.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.869 0 OP1-P-OP2 115.906 -2.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.865 0 C3'-C2'-C1' 105.938 2.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.801 0 O5'-C5'-C4' 114.647 3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.947 3 O4'-C1'-N19 112.586 5.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 OP1-P-OP2 115.951 -2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 P-O5'-C5' 114.983 -3.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.854 0 O4'-C1'-C2' 102.795 -3.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.976 0 O4'-C1'-N19 110.494 3.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.932 0 O4'-C1'-C2' 103.13 -2.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.884 0 O5'-C5'-C4' 115.263 3.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.848 0 P-O5'-C5' 115.916 -3.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.937 1 O4'-C1'-N19 111.33 4.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.862 0 C5'-C4'-C3' 110.557 -2.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.7 ttp . . . . . 0 CA--C 1.491 -1.314 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -77.66 151.43 79.97 Favored Pre-proline 0 N--CA 1.43 -1.448 0 CA-C-O 116.439 -1.743 . . . . 0.0 115.609 -174.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -80.33 132.53 9.2 Favored 'Trans proline' 0 N--CA 1.434 -2.013 0 CA-C-N 123.408 2.253 . . . . 0.0 110.727 -154.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.06 161.98 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p -122.35 165.36 16.4 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.817 -1.177 . . . . 0.0 110.056 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.4 -33.04 28.53 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.331 2.252 . . . . 0.0 115.525 170.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -72.46 -37.62 68.46 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.547 1.539 . . . . 0.0 112.186 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -72.15 -35.07 68.95 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.38 -1.45 . . . . 0.0 112.379 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 t -67.39 -44.48 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.817 2.447 . . . . 0.0 110.228 170.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -52.55 64.18 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.762 1.625 . . . . 0.0 114.57 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -60.32 -34.98 74.58 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.963 1.705 . . . . 0.0 114.303 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -70.42 -45.95 64.87 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.896 -1.753 . . . . 0.0 113.582 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 41' ' ' ALA . . . -76.81 -24.94 52.77 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.229 -1.544 . . . . 0.0 111.639 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.13 38.09 4.68 Favored Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 125.558 1.551 . . . . 0.0 113.408 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.82 -177.96 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 124.3 1.04 . . . . 0.0 110.561 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.1 t -82.77 155.82 24.03 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 122.564 1.173 . . . . 0.0 110.921 169.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -66.84 -26.52 66.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.812 -1.805 . . . . 0.0 113.214 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -72.35 -35.16 68.46 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.443 -1.411 . . . . 0.0 111.318 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.4 m -61.28 -41.92 97.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.84 1.256 . . . . 0.0 111.641 173.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.78 -52.46 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 173.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -50.57 -44.27 56.66 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.648 1.979 . . . . 0.0 114.908 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 -62.19 -15.51 46.92 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.53 -53.6 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.219 -1.551 . . . . 0.0 110.092 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.2 t -48.21 -55.77 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 131.21 3.804 . . . . 0.0 114.769 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -88.85 6.42 39.19 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.64 -1.288 . . . . 0.0 113.695 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 58.31 74.92 0.41 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 127.725 2.41 . . . . 0.0 115.608 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.05 174.57 7.82 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 121.094 -1.004 . . . . 0.0 111.511 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -71.9 -49.15 40.38 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -75.58 75.46 2.6 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -174.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.4 t -122.12 110.61 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 126.292 1.837 . . . . 0.0 109.535 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.0 p -90.1 6.52 42.12 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.772 -1.205 . . . . 0.0 113.595 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.07 -43.53 0.56 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 174.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -40.55 -51.81 2.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 128.807 2.843 . . . . 0.0 114.485 -175.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.7 m -88.43 -37.64 15.67 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 113.827 -1.533 . . . . 0.0 111.503 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -64.42 -24.88 67.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.733 -1.854 . . . . 0.0 115.476 -173.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -56.71 -28.97 61.93 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 168.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -86.48 -33.62 20.3 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.845 1.258 . . . . 0.0 109.583 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.94 -43.14 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 124.876 1.27 . . . . 0.0 111.888 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.52 -25.57 68.31 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.406 1.082 . . . . 0.0 111.702 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.77 -32.44 40.96 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 123.89 0.876 . . . . 0.0 112.844 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 13' ' ' ALA . . . -63.7 -46.05 87.24 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 119.335 -2.103 . . . . 0.0 113.528 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 ptp -64.94 -12.43 49.56 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.69 -1.256 . . . . 0.0 113.349 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.52 -42.25 10.94 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.825 -1.172 . . . . 0.0 112.891 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.65 -58.92 4.58 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-O 123.512 1.625 . . . . 0.0 112.278 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.92 -31.85 71.91 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.527 2.331 . . . . 0.0 113.74 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.256 1.0 OUTLIER 71.24 70.97 0.18 Allowed 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.679 2.392 . . . . 0.0 109.732 -176.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -59.58 139.29 57.29 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.905 1.682 . . . . 0.0 114.816 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -107.88 99.2 29.01 Favored Pre-proline 0 N--CA 1.431 -1.4 0 N-CA-C 104.004 -2.591 . . . . 0.0 104.004 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -62.13 116.13 3.28 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 CA-C-N 122.836 2.049 . . . . 0.0 116.23 155.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -84.92 123.44 30.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.271 1.428 . . . . 0.0 109.818 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.18 -18.84 48.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.508 -2.62 . . . . 0.0 113.412 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.32 -40.64 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 119.275 -2.141 . . . . 0.0 110.241 174.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.53 69.78 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.825 2.45 . . . . 0.0 113.354 173.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -83.42 -23.98 32.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.011 -1.68 . . . . 0.0 113.093 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -84.5 -49.15 8.88 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 -175.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 tp -64.44 -43.76 93.26 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.325 -1.484 . . . . 0.0 112.243 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.68 -44.66 57.85 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.224 3.01 . . . . 0.0 113.288 168.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.66 54.97 1.1 Allowed Glycine 0 N--CA 1.43 -1.742 0 N-CA-C 117.055 1.582 . . . . 0.0 117.055 168.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -59.6 121.33 11.32 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -91.37 147.76 22.8 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.045 1.738 . . . . 0.0 111.569 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.0 t -80.3 124.58 28.96 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.819 -1.176 . . . . 0.0 110.506 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.318 10.9 tp . . . . . 0 C--O 1.26 1.621 0 C-N-CA 128.829 2.852 . . . . 0.0 117.747 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 ttp . . . . . 0 CA--C 1.489 -1.401 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -78.79 156.81 77.32 Favored Pre-proline 0 N--CA 1.43 -1.467 0 CA-C-O 115.649 -2.12 . . . . 0.0 112.266 -175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -79.89 156.07 23.62 Favored 'Trans proline' 0 C--N 1.3 -1.992 0 CA-C-N 122.386 1.888 . . . . 0.0 108.556 -156.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 t -126.53 170.32 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 28.1 p -129.59 163.04 26.86 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.8 -32.0 29.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.46 1.904 . . . . 0.0 115.367 170.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -71.31 -36.68 71.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.209 1.804 . . . . 0.0 112.413 175.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -75.71 -31.08 59.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.532 -1.355 . . . . 0.0 111.028 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 t -68.07 -47.04 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 126.807 2.043 . . . . 0.0 110.162 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.58 -52.75 62.69 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -58.43 -36.55 73.8 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.112 1.365 . . . . 0.0 114.274 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -70.08 -44.53 68.9 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.677 -1.264 . . . . 0.0 113.868 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 41' ' ' ALA . . . -77.62 -18.83 56.39 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.197 -2.189 . . . . 0.0 112.998 -177.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.31 16.18 Favored Glycine 0 N--CA 1.429 -1.769 0 C-N-CA 125.948 1.737 . . . . 0.0 113.937 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.1 m -122.34 -174.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 125.344 1.457 . . . . 0.0 110.782 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.3 t -92.66 154.71 18.19 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.295 1.038 . . . . 0.0 110.056 171.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -59.4 -31.17 69.01 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 126.804 2.042 . . . . 0.0 114.413 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -69.89 -33.72 72.59 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 120.339 -1.475 . . . . 0.0 111.617 174.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -65.86 -42.84 89.88 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.532 1.533 . . . . 0.0 110.869 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.72 -51.87 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 125.465 1.506 . . . . 0.0 114.387 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.0 t -51.99 -40.87 61.63 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.861 1.664 . . . . 0.0 114.872 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -67.36 -8.28 31.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.41 -54.08 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 119.552 -1.968 . . . . 0.0 109.098 174.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.0 t -46.7 -55.06 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 130.289 3.436 . . . . 0.0 114.501 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -90.95 13.54 16.33 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.089 -2.257 . . . . 0.0 113.524 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 53.66 77.02 0.19 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.553 2.341 . . . . 0.0 114.45 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.83 179.0 7.12 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-O 122.67 1.224 . . . . 0.0 111.288 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -82.38 -45.39 14.92 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.214 -1.554 . . . . 0.0 112.665 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -74.55 71.42 1.85 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 25.2 t -117.68 108.86 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 125.864 1.665 . . . . 0.0 110.72 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.3 p -87.76 8.08 27.35 Favored 'General case' 0 N--CA 1.428 -1.537 0 O-C-N 120.434 -1.416 . . . . 0.0 114.456 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.87 -47.61 0.65 Allowed 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 119.734 3.235 . . . . 0.0 119.734 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -42.59 -53.04 4.59 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.768 2.427 . . . . 0.0 114.309 -173.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 12.4 m -87.27 -35.56 18.41 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.699 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -65.3 -27.88 68.93 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.385 -2.072 . . . . 0.0 114.495 -174.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -54.46 -28.28 43.41 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 169.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -89.08 -33.25 17.18 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.741 1.616 . . . . 0.0 109.958 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 44.6 t -64.43 -43.72 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 124.222 1.009 . . . . 0.0 111.903 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.05 -31.54 70.08 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.625 1.17 . . . . 0.0 111.909 175.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.92 67.85 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.895 -1.128 . . . . 0.0 112.307 172.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.467 ' HB3' ' HB3' ' B' ' 13' ' ' ALA . . . -62.09 -49.21 76.83 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.499 -2.001 . . . . 0.0 114.296 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 3.1 ptp -63.33 -16.36 60.16 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 124.439 1.096 . . . . 0.0 113.096 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.65 -44.6 11.72 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 124.353 1.061 . . . . 0.0 113.306 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.11 -56.52 16.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 123.438 1.59 . . . . 0.0 113.444 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.14 -27.58 63.66 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.79 2.036 . . . . 0.0 113.353 -177.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.87 67.28 0.23 Allowed 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 128.488 2.715 . . . . 0.0 109.924 -176.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -57.07 137.31 55.94 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.799 2.039 . . . . 0.0 114.578 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -108.44 99.7 34.16 Favored Pre-proline 0 N--CA 1.429 -1.485 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -64.29 112.74 1.99 Allowed 'Trans proline' 0 C--N 1.3 -1.995 0 N-CA-C 116.678 1.761 . . . . 0.0 116.678 158.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -83.75 128.96 34.91 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.111 1.364 . . . . 0.0 112.146 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -83.23 -26.5 30.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.958 -1.714 . . . . 0.0 113.52 -173.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.81 -40.18 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 O-C-N 119.847 -1.783 . . . . 0.0 110.488 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.35 68.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 128.066 2.547 . . . . 0.0 113.226 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -86.49 -25.79 24.95 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.233 -1.542 . . . . 0.0 112.973 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.99 -46.78 12.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 tp -66.11 -40.05 90.43 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 120.05 1.296 . . . . 0.0 111.848 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.67 -39.38 73.68 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.115 2.966 . . . . 0.0 113.16 170.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.75 53.9 2.16 Favored Glycine 0 N--CA 1.43 -1.736 0 N-CA-C 118.854 2.301 . . . . 0.0 118.854 170.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -56.71 127.68 32.72 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -97.31 147.4 24.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.255 1.022 . . . . 0.0 109.839 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 13.7 t -82.33 114.28 20.7 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.024 -1.673 . . . . 0.0 111.967 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.3 tp . . . . . 0 C--O 1.26 1.638 0 C-N-CA 126.055 1.742 . . . . 0.0 113.312 177.281 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.982 0 C3'-C2'-C1' 97.998 -3.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.981 0 O4'-C1'-C2' 103.149 -2.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.957 0 C4'-C3'-O3' 117.125 3.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.929 1 P-O3'-C3' 132.81 10.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.004 1 OP1-P-OP2 113.348 -4.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.901 3 O5'-C5'-C4' 116.184 4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 0 O5'-C5'-C4' 114.936 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.895 0 O5'-C5'-C4' 115.094 3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.838 1 O4'-C1'-C2' 101.638 -4.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.884 0 O4'-C1'-C2' 102.005 -3.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.886 0 C4'-C3'-C2' 99.893 -3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.94 0 P-O3'-C3' 123.103 2.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 2 O4'-C1'-N19 113.235 6.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.884 0 P-O5'-C5' 116.634 -2.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.907 0 O5'-C5'-C4' 115.04 3.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.055 0 O5'-C5'-C4' 114.929 3.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 O5'-C5'-C4' 114.972 3.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.415 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.538 1.961 0 OP1-P-OP2 114.936 -3.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.415 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.538 1.995 0 O5'-C5'-C4' 113.807 2.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.941 1 O4'-C1'-N19 111.175 4.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.852 0 O5'-C5'-C4' 113.923 2.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.977 0 O5'-C5'-C4' 113.429 2.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.867 0 O4'-C1'-C2' 103.009 -2.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.009 0 O4'-C1'-C2' 102.59 -3.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 O4'-C1'-C2' 102.504 -3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.895 1 O4'-C1'-C2' 101.517 -4.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.798 0 OP1-P-OP2 113.984 -3.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.84 1 O5'-C5'-C4' 115.872 4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.831 0 OP1-P-OP2 114.371 -3.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.92 0 O5'-C5'-C4' 114.044 2.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.899 0 O4'-C1'-C2' 102.251 -3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.868 0 O4'-C1'-C2' 102.616 -3.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 C4'-C3'-C2' 99.481 -3.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.778 0 P-O3'-C3' 122.409 2.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 1 O4'-C1'-N19 113.493 7.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 C5'-C4'-C3' 109.222 -3.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.903 0 OP1-P-OP2 115.349 -2.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.818 0 O4'-C1'-C2' 102.471 -3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 OP1-P-OP2 115.528 -2.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.991 0 O5'-C5'-C4' 114.256 2.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.868 0 O5'-C5'-C4' 114.424 3.017 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.936 0 O4'-C1'-N19 110.628 3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 O4'-C1'-N19 110.512 3.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.852 0 O5'-C5'-C4' 114.403 3.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 N--CA 1.434 -2.021 0 N-CA-C 118.454 2.444 . . . . 0.0 118.454 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -128.85 166.52 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 129.471 3.109 . . . . 0.0 103.182 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.5 p -123.38 158.89 30.08 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.36 -1.463 . . . . 0.0 110.194 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -48.84 -32.73 9.27 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.249 1.82 . . . . 0.0 115.347 168.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -71.65 -40.67 69.53 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.734 1.614 . . . . 0.0 111.964 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -65.04 -42.93 93.88 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.55 1.54 . . . . 0.0 110.562 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 9' ' ' VAL . 7.1 t -63.45 -44.7 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.705 -1.872 . . . . 0.0 113.048 173.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.37 77.92 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.291 1.436 . . . . 0.0 114.058 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.49 -42.42 92.1 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 126.296 1.838 . . . . 0.0 112.959 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -64.82 -52.14 58.36 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.008 -1.682 . . . . 0.0 112.989 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -72.61 -17.17 61.71 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.611 -1.931 . . . . 0.0 113.134 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.16 34.86 16.43 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 126.308 1.909 . . . . 0.0 113.151 177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.98 -170.0 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.798 1.639 . . . . 0.0 111.489 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 t -93.89 163.01 13.68 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.388 -1.445 . . . . 0.0 108.77 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -72.68 -24.87 61.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.329 -2.107 . . . . 0.0 112.557 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -78.17 -24.76 47.11 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 121.023 -1.048 . . . . 0.0 110.973 172.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -65.58 -43.49 89.58 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.435 -1.416 . . . . 0.0 110.087 172.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.449 ' HA ' HG11 ' A' ' 38' ' ' VAL . 71.5 t -59.18 -59.2 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.562 1.545 . . . . 0.0 113.828 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.6 p -59.33 -21.4 59.72 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.471 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -59.41 -38.14 79.81 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.292 -1.505 . . . . 0.0 113.703 168.848 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.9 -44.76 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.799 -1.188 . . . . 0.0 110.386 -174.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 t -65.0 -62.07 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.891 2.476 . . . . 0.0 114.082 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -104.58 21.15 17.3 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.622 1.969 . . . . 0.0 115.913 -174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 60.01 58.83 2.59 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 118.465 2.765 . . . . 0.0 118.465 169.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -90.4 -171.39 3.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.647 -1.283 . . . . 0.0 110.846 174.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 m -108.34 -64.93 1.17 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -84.71 74.95 10.37 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -164.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -126.29 -100.22 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 124.714 1.206 . . . . 0.0 107.864 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 81.2 p 178.59 170.49 0.82 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.978 2.511 . . . . 0.0 107.607 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.78 -27.03 23.83 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.967 -1.083 . . . . 0.0 110.594 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -58.53 -58.7 7.37 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.326 2.25 . . . . 0.0 113.101 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -72.54 -29.25 63.41 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.743 1.217 . . . . 0.0 113.291 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -43.65 -54.48 4.99 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.23 -17.55 64.59 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.962 2.105 . . . . 0.0 116.508 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -81.61 -36.35 29.02 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.088 -1.632 . . . . 0.0 108.393 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.449 HG11 ' HA ' ' A' ' 20' ' ' VAL . 19.3 t -65.3 -40.98 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 111.27 171.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.24 -30.0 64.26 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.88 -34.5 73.64 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.331 1.452 . . . . 0.0 113.139 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -70.7 -42.83 70.12 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.5 mtt -50.77 -35.13 30.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.58 -29.87 52.26 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -78.78 -65.95 0.92 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.772 1.229 . . . . 0.0 112.981 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -21.64 59.61 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.201 1.4 . . . . 0.0 113.027 -173.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.96 71.16 0.11 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.936 2.894 . . . . 0.0 110.511 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -64.23 111.04 2.42 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.78 106.47 58.81 Favored Pre-proline 0 N--CA 1.43 -1.432 1 N-CA-C 99.632 -4.21 . . . . 0.0 99.632 168.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -66.97 162.3 38.66 Favored 'Trans proline' 0 N--CA 1.434 -2.016 0 C-N-CA 122.859 2.373 . . . . 0.0 117.316 156.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.6 125.05 35.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.491 1.516 . . . . 0.0 109.994 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -70.07 -23.21 63.04 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.786 -1.196 . . . . 0.0 111.639 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.19 -43.73 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 126.205 1.802 . . . . 0.0 112.462 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.61 92.75 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.523 2.329 . . . . 0.0 112.425 172.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -63.59 -26.2 68.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.436 1.894 . . . . 0.0 113.741 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -88.56 -46.87 8.73 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.047 -1.658 . . . . 0.0 112.702 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' LEU . 11.6 tp -63.6 -45.94 88.07 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.469 -1.395 . . . . 0.0 114.712 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.58 36.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.743 0 C-N-CA 127.322 2.391 . . . . 0.0 117.822 -175.657 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo . . . . . 0 N--CA 1.433 -2.039 0 N-CA-C 118.477 2.453 . . . . 0.0 118.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 24.7 t -128.38 166.06 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 103.087 -2.931 . . . . 0.0 103.087 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.7 p -125.15 161.12 27.54 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.618 -1.926 . . . . 0.0 109.925 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -49.07 -31.55 8.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 127.022 2.129 . . . . 0.0 116.096 169.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -75.85 -32.09 59.61 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.218 1.807 . . . . 0.0 112.394 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -72.05 -40.65 68.2 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.769 2.028 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 t -66.14 -45.08 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.944 2.098 . . . . 0.0 112.625 172.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.94 79.58 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.172 1.389 . . . . 0.0 114.555 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.04 -41.32 78.42 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.464 1.906 . . . . 0.0 114.195 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.7 -47.57 66.09 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.243 -1.535 . . . . 0.0 113.45 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -75.36 -18.92 59.85 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.304 -1.497 . . . . 0.0 113.473 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.32 32.39 19.94 Favored Glycine 0 N--CA 1.43 -1.704 0 O-C-N 120.327 -1.483 . . . . 0.0 112.875 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -123.57 -174.51 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.992 1.317 . . . . 0.0 111.697 -176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.4 t -90.78 164.18 14.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.514 -1.366 . . . . 0.0 109.967 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -74.12 -23.4 59.3 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.595 -2.565 . . . . 0.0 113.371 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -78.71 -21.68 47.74 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.139 0.976 . . . . 0.0 111.559 172.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -67.82 -46.88 70.61 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.798 -1.189 . . . . 0.0 110.403 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.478 ' HA ' HG11 ' B' ' 38' ' ' VAL . 69.9 t -56.13 -58.5 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 126.156 1.782 . . . . 0.0 113.707 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 81.1 p -62.27 -19.4 63.19 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.514 ' HA ' ' HB3' ' B' ' 27' ' ' ALA . 0.0 OUTLIER -62.1 -36.71 82.54 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.338 -0.851 . . . . 0.0 112.943 167.5 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.25 -47.24 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 123.282 1.515 . . . . 0.0 109.981 -174.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.25 -65.54 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 128.717 2.807 . . . . 0.0 114.241 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -104.32 25.85 9.62 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -173.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 55.48 66.12 1.3 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 170.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' B' ' 22' ' ' ARG . . . -98.14 -172.8 2.43 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.71 -1.244 . . . . 0.0 110.825 175.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.3 m -102.17 -73.37 0.66 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -80.07 79.53 6.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.065 2.987 . . . . 0.0 119.065 -162.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.21 -96.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 96.0 p 175.27 167.8 0.32 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 127.27 2.228 . . . . 0.0 107.053 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.73 -26.89 27.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.483 -1.385 . . . . 0.0 111.049 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.423 ' H ' ' HG3' ' B' ' 33' ' ' LYS . 1.4 mtpm? -57.65 -60.58 3.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.191 2.596 . . . . 0.0 112.616 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 24.5 m -72.05 -28.92 63.66 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.679 -1.263 . . . . 0.0 114.169 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 42.1 ttp85 -44.02 -53.53 6.21 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.532 1.933 . . . . 0.0 115.134 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.52 -19.1 64.5 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.1 -35.24 25.79 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.024 -1.673 . . . . 0.0 108.953 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.478 HG11 ' HA ' ' B' ' 20' ' ' VAL . 14.1 t -65.86 -40.06 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.493 -1.379 . . . . 0.0 112.555 170.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -57.81 -26.97 62.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.2 -40.15 68.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.661 1.184 . . . . 0.0 111.967 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.5 -44.85 85.76 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.328 -2.107 . . . . 0.0 114.61 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 44.9 mtt -51.11 -29.95 14.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.019 2.127 . . . . 0.0 116.104 171.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.09 -37.73 23.43 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.459 1.504 . . . . 0.0 112.698 -173.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.2 -63.44 1.11 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.479 1.133 . . . . 0.0 112.943 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -22.35 50.21 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.299 1.047 . . . . 0.0 112.531 -173.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASN . . . . . 0.413 ' O ' HD12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 72.56 71.21 0.14 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.501 1.921 . . . . 0.0 109.773 179.365 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.46 115.03 4.26 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.413 HD12 ' O ' ' B' ' 46' ' ' ASN . 3.9 mp -108.56 108.05 60.62 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 100.757 -3.794 . . . . 0.0 100.757 167.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -68.38 158.65 56.68 Favored 'Trans proline' 0 C--N 1.3 -2.008 0 C-N-CA 123.287 2.658 . . . . 0.0 117.666 156.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -89.12 120.72 30.76 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 113.512 -1.676 . . . . 0.0 108.301 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -66.64 -24.7 66.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.602 -1.311 . . . . 0.0 112.267 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.54 -45.47 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.725 1.61 . . . . 0.0 112.045 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.13 80.04 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.477 2.311 . . . . 0.0 112.712 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -69.83 -23.89 63.37 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.704 -1.873 . . . . 0.0 113.265 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -91.6 -43.04 9.87 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.872 -2.393 . . . . 0.0 114.003 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 56' ' ' LEU . 12.1 tp -62.1 -52.11 65.2 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.411 -1.431 . . . . 0.0 113.048 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.87 -17.25 51.27 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.73 0 C-N-CA 127.899 2.666 . . . . 0.0 118.762 -176.705 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo . . . . . 0 N--CA 1.434 -1.975 0 N-CA-C 120.864 3.371 . . . . 0.0 120.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.2 t -128.52 167.31 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.9 p -137.27 162.78 32.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.826 -1.796 . . . . 0.0 107.572 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.74 -30.03 42.4 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 171.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -69.09 -39.27 79.11 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 127.392 2.277 . . . . 0.0 112.873 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -69.56 -38.37 77.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.986 1.314 . . . . 0.0 110.89 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.03 -45.31 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.538 2.335 . . . . 0.0 111.198 172.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.55 -55.04 39.92 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.936 1.694 . . . . 0.0 114.368 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.38 -36.97 76.77 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.664 1.586 . . . . 0.0 114.031 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -66.49 -49.78 65.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.123 0.969 . . . . 0.0 112.531 173.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -74.05 -27.1 60.76 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.987 -1.696 . . . . 0.0 113.008 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.39 29.05 6.48 Favored Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 125.934 1.73 . . . . 0.0 114.124 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.07 -170.53 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 125.134 1.374 . . . . 0.0 111.467 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 t -92.89 160.51 14.88 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.793 1.282 . . . . 0.0 108.737 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -66.21 -32.66 74.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.493 -2.005 . . . . 0.0 113.104 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -76.5 -18.23 58.85 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 121.087 -1.008 . . . . 0.0 112.298 173.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.2 m -67.73 -45.58 74.59 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.369 -1.457 . . . . 0.0 110.369 173.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 24' ' ' VAL . 94.3 t -55.27 -58.16 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 C-N-CA 125.666 1.586 . . . . 0.0 115.25 178.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.8 p -58.14 -31.22 66.99 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.7 -17.08 64.45 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -90.56 -55.77 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.854 -1.778 . . . . 0.0 108.113 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 20' ' ' VAL . 60.6 t -49.63 -50.93 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 129.368 3.067 . . . . 0.0 114.831 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -98.84 12.19 36.48 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.859 1.264 . . . . 0.0 112.44 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 56.09 74.7 0.37 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 127.162 2.185 . . . . 0.0 116.318 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.92 175.27 5.67 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.723 1.209 . . . . 0.0 110.574 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 m -72.09 -77.38 0.1 Allowed 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -73.81 63.05 0.86 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 119.212 3.042 . . . . 0.0 119.212 -168.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 t -131.39 110.63 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.677 -1.265 . . . . 0.0 107.594 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -63.06 145.43 55.46 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.026 1.33 . . . . 0.0 113.07 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.84 -42.8 37.52 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 126.438 1.895 . . . . 0.0 115.995 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -54.83 -36.9 65.49 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.457 1.903 . . . . 0.0 113.979 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 m -75.69 -49.67 17.64 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.474 -1.391 . . . . 0.0 110.788 175.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -53.71 -44.63 69.97 Favored 'General case' 0 CA--C 1.489 -1.381 0 O-C-N 120.799 -1.188 . . . . 0.0 113.743 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -58.13 -22.29 50.31 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -92.1 -39.16 11.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.033 1.333 . . . . 0.0 109.162 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 t -67.93 -41.26 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 119.731 -1.856 . . . . 0.0 113.002 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -65.54 -17.71 64.77 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.62 -1.3 . . . . 0.0 114.085 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.82 -34.37 45.34 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 124.592 1.157 . . . . 0.0 110.7 170.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -67.43 -45.05 77.2 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.06 -1.65 . . . . 0.0 113.69 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.4 mtt -53.55 -30.64 42.9 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.188 1.395 . . . . 0.0 113.961 168.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.37 -28.67 26.82 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -78.28 -55.87 4.91 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 124.417 2.056 . . . . 0.0 110.031 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -79.17 -12.99 59.99 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 113.456 -1.702 . . . . 0.0 114.972 -174.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.417 0.6 OUTLIER 56.45 47.81 18.1 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.444 2.697 . . . . 0.0 114.869 -177.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -37.16 114.52 0.33 Allowed 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.432 2.293 . . . . 0.0 116.395 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.75 106.95 30.76 Favored Pre-proline 0 N--CA 1.43 -1.453 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -46.65 132.51 16.58 Favored 'Trans proline' 0 N--CA 1.434 -2.012 0 N-CA-C 120.201 3.116 . . . . 0.0 120.201 157.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -88.05 103.24 15.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -72.45 -13.07 61.35 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.449 -2.032 . . . . 0.0 114.68 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 t -75.66 -42.15 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.883 2.073 . . . . 0.0 110.332 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.35 -30.79 71.43 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.216 2.206 . . . . 0.0 112.942 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -79.6 -16.31 56.09 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.117 -1.614 . . . . 0.0 112.997 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -89.79 -51.17 5.64 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.612 -1.305 . . . . 0.0 111.606 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tp -61.31 -55.0 36.75 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 124.909 1.284 . . . . 0.0 113.788 -175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.83 -5.73 45.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.732 0 C-N-CA 128.288 2.852 . . . . 0.0 119.738 -175.533 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo . . . . . 0 N--CA 1.434 -2.006 0 N-CA-C 117.477 2.068 . . . . 0.0 117.477 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 t -137.0 165.97 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 103.055 -2.943 . . . . 0.0 103.055 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 48.5 p -136.78 163.65 30.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.148 -1.595 . . . . 0.0 107.513 174.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.98 -28.24 50.16 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 170.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -69.13 -37.61 78.41 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 126.979 2.112 . . . . 0.0 113.427 174.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -70.13 -42.28 72.81 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.141 1.776 . . . . 0.0 110.019 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.04 -47.27 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.032 2.133 . . . . 0.0 110.529 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -54.29 44.16 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.576 1.55 . . . . 0.0 114.119 175.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.9 -35.41 79.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -63.8 -50.55 68.5 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.813 0.845 . . . . 0.0 112.969 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -76.48 -29.88 57.05 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 121.314 -0.866 . . . . 0.0 112.473 -174.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.8 43.41 2.66 Favored Glycine 0 N--CA 1.43 -1.735 0 C-N-CA 124.892 1.234 . . . . 0.0 112.521 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.43 -164.4 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 125.463 1.505 . . . . 0.0 108.873 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -102.96 168.92 8.89 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.403 -1.435 . . . . 0.0 108.769 173.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -70.8 -34.61 71.94 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 118.982 -2.324 . . . . 0.0 112.481 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.39 -20.62 60.7 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 123.379 0.672 . . . . 0.0 112.271 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -66.31 -49.59 66.52 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.287 -1.508 . . . . 0.0 110.675 174.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.434 ' O ' HG23 ' B' ' 24' ' ' VAL . 96.1 t -52.27 -60.07 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.4 p -59.28 -29.57 67.68 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.13 -16.49 64.03 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.752 -1.217 . . . . 0.0 114.049 172.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -89.55 -56.35 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.989 -1.694 . . . . 0.0 108.263 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 20' ' ' VAL . 45.6 t -49.28 -53.52 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 129.159 2.984 . . . . 0.0 115.666 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -92.43 -1.68 56.83 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.237 -1.54 . . . . 0.0 111.899 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 67.24 76.69 0.28 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 127.616 2.366 . . . . 0.0 115.891 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.0 -175.62 3.2 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.352 1.461 . . . . 0.0 111.04 173.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.8 m -82.68 -72.93 0.42 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 -173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -76.77 65.28 2.48 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -168.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -134.61 109.88 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 170.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.0 t -63.0 142.75 58.26 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.808 1.243 . . . . 0.0 112.075 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.16 -44.88 8.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.852 2.461 . . . . 0.0 116.538 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -56.4 -36.6 69.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 126.979 2.112 . . . . 0.0 114.189 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.6 m -75.2 -49.56 19.04 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.653 -1.279 . . . . 0.0 110.325 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 -53.01 -44.89 67.61 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.484 -1.385 . . . . 0.0 113.824 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -57.09 -23.9 50.17 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -91.88 -36.89 13.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.86 1.264 . . . . 0.0 109.229 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.18 -44.13 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 O-C-N 120.588 -1.32 . . . . 0.0 111.648 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.31 -26.48 68.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 112.28 176.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.42 -32.7 66.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.344 -1.473 . . . . 0.0 112.09 170.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -69.99 -40.81 75.1 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.441 -1.412 . . . . 0.0 114.067 177.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 32.0 mtt -55.09 -35.27 64.4 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.18 1.392 . . . . 0.0 113.361 168.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.12 -29.38 38.93 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -171.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -78.82 -52.39 8.41 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-O 124.308 2.004 . . . . 0.0 111.022 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -80.57 -19.0 46.61 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 113.579 -1.646 . . . . 0.0 113.903 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.519 0.5 OUTLIER 61.02 57.91 2.42 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.255 2.222 . . . . 0.0 113.394 -175.251 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -48.31 115.24 1.14 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.088 2.155 . . . . 0.0 116.078 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mp -93.88 114.4 63.01 Favored Pre-proline 0 N--CA 1.43 -1.437 0 N-CA-C 103.716 -2.698 . . . . 0.0 103.716 173.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -55.85 132.96 55.16 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 C-N-CA 123.542 2.828 . . . . 0.0 116.607 154.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -91.0 105.11 17.6 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 170.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -71.95 -18.6 62.0 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.357 -2.089 . . . . 0.0 114.118 -172.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 19.4 t -68.66 -40.39 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 126.503 1.921 . . . . 0.0 111.245 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.19 77.83 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.153 2.181 . . . . 0.0 113.165 172.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.01 -20.62 60.27 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.854 -1.779 . . . . 0.0 113.032 174.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -86.04 -54.36 4.53 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.62 -1.3 . . . . 0.0 111.95 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 56' ' ' LEU . 10.1 tp -58.65 -49.57 77.04 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -175.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.72 59.79 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.728 0 C-N-CA 128.153 2.787 . . . . 0.0 118.881 -170.788 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 N--CA 1.434 -2.011 0 N-CA-C 118.405 2.425 . . . . 0.0 118.405 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.6 t -137.33 165.87 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 N-CA-C 101.311 -3.589 . . . . 0.0 101.311 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.8 p -130.2 161.87 30.18 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 119.724 1.147 . . . . 0.0 108.833 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 7' ' ' TYR . 1.1 pt? -48.57 -35.6 13.78 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.395 1.878 . . . . 0.0 115.12 171.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.421 ' H ' HD23 ' A' ' 6' ' ' LEU . 72.9 m-85 -67.58 -39.75 84.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.325 2.25 . . . . 0.0 112.755 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -70.85 -38.14 73.16 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.699 -1.25 . . . . 0.0 111.712 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.16 -45.61 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 C-N-CA 126.468 1.907 . . . . 0.0 110.825 172.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -55.31 35.1 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.633 1.573 . . . . 0.0 114.82 174.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.98 -28.9 69.83 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -69.45 -51.27 37.78 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.09 -1.006 . . . . 0.0 112.076 172.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -73.71 -18.91 60.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.319 -1.488 . . . . 0.0 113.142 -177.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.06 44.81 6.16 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 125.861 1.696 . . . . 0.0 111.754 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.61 178.44 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 125.191 1.396 . . . . 0.0 110.824 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.2 t -80.68 158.79 25.48 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.699 -1.251 . . . . 0.0 110.619 173.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -67.46 -31.34 71.44 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.936 -1.728 . . . . 0.0 113.985 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -77.28 -15.79 59.28 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.005 -1.684 . . . . 0.0 112.086 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.5 m -68.85 -41.53 78.34 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.441 -2.037 . . . . 0.0 110.002 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.81 -56.16 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.184 1.393 . . . . 0.0 113.91 174.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -61.42 -27.49 68.58 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -72.29 -11.51 60.74 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 125.617 1.567 . . . . 0.0 113.781 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -99.84 -49.19 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 119.415 -2.053 . . . . 0.0 109.696 170.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.98 -57.49 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 C-N-CA 127.869 2.468 . . . . 0.0 114.109 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -108.95 -58.5 2.01 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.767 -1.208 . . . . 0.0 112.632 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -93.96 60.21 2.84 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 122.793 1.282 . . . . 0.0 113.394 -172.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.14 90.29 0.87 Allowed 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 118.797 2.888 . . . . 0.0 118.797 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.0 p -162.4 145.51 11.42 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.932 1.293 . . . . 0.0 108.322 170.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 58.29 41.31 23.51 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.097 1.359 . . . . 0.0 113.025 -170.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.56 131.35 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 121.042 -1.036 . . . . 0.0 111.514 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -84.75 119.01 24.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.496 -1.378 . . . . 0.0 109.468 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.78 -38.91 83.16 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.281 1.832 . . . . 0.0 115.226 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -63.78 -51.33 65.28 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.959 1.704 . . . . 0.0 111.221 176.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -61.92 -45.79 92.15 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.106 2.162 . . . . 0.0 115.017 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -42.79 -54.51 4.08 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.12 -12.02 60.16 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -88.03 -40.67 13.66 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.824 -1.797 . . . . 0.0 108.946 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.1 t -75.49 -37.57 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.45 -1.406 . . . . 0.0 112.013 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -63.8 -23.21 67.27 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.135 -1.603 . . . . 0.0 112.72 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.96 62.47 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.689 -1.257 . . . . 0.0 112.456 171.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -67.19 -42.88 83.47 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.936 -1.727 . . . . 0.0 114.555 176.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.2 mtt -50.27 -33.45 19.87 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.992 2.117 . . . . 0.0 114.755 168.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.35 -39.09 59.7 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.68 -59.45 2.71 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -22.19 42.63 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.778 1.231 . . . . 0.0 113.569 -174.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 73.71 66.73 0.1 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.494 2.317 . . . . 0.0 112.03 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.66 126.3 26.1 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.8 mm -100.62 113.5 65.59 Favored Pre-proline 0 N--CA 1.43 -1.452 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -54.47 113.17 1.24 Allowed 'Trans proline' 0 N--CA 1.434 -2.007 0 CA-C-N 123.741 2.372 . . . . 0.0 114.569 149.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -84.62 125.7 32.7 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -76.97 -39.12 51.69 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.641 -1.912 . . . . 0.0 112.568 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.517 HG13 HG13 ' B' ' 52' ' ' VAL . 14.4 t -56.78 -43.53 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.963 2.505 . . . . 0.0 112.231 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.53 -28.59 68.54 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.472 2.709 . . . . 0.0 114.167 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -89.4 -17.37 28.93 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.63 -1.918 . . . . 0.0 110.67 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -88.16 -45.76 9.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 56' ' ' LEU . 10.2 tp -65.33 -42.37 93.02 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 121.263 1.847 . . . . 0.0 114.359 -176.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.05 -79.78 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.469 2.708 . . . . 0.0 108.422 169.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.696 1 N-CA-C 124.167 4.427 . . . . 0.0 124.167 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo . . . . . 0 N--CA 1.434 -1.982 0 N-CA-C 118.638 2.515 . . . . 0.0 118.638 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 29.9 t -137.96 163.01 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 N-CA-C 101.999 -3.334 . . . . 0.0 101.999 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.9 p -127.68 162.7 25.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 120.448 1.476 . . . . 0.0 108.936 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.409 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.9 OUTLIER -51.47 -33.52 31.56 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.065 1.746 . . . . 0.0 115.25 172.496 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.409 ' H ' HD23 ' B' ' 6' ' ' LEU . 71.0 m-85 -68.74 -39.38 80.38 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 127.119 2.168 . . . . 0.0 112.636 176.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.53 -38.17 77.41 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.575 1.55 . . . . 0.0 111.835 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.95 -42.73 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.195 2.198 . . . . 0.0 110.599 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.88 71.99 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.87 -33.56 76.12 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.085 -1.634 . . . . 0.0 114.479 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -67.44 -47.2 70.87 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.075 -2.266 . . . . 0.0 113.324 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -76.72 -19.74 57.34 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.44 -2.038 . . . . 0.0 113.061 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.28 35.23 7.61 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 125.464 1.507 . . . . 0.0 112.092 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m -125.09 179.95 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.262 1.425 . . . . 0.0 110.956 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -84.24 160.34 20.8 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.831 1.252 . . . . 0.0 110.316 173.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -70.02 -33.14 71.62 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.479 -2.013 . . . . 0.0 114.614 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -73.55 -19.02 61.01 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.645 -1.284 . . . . 0.0 112.208 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.2 m -66.32 -42.87 87.58 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.064 -1.647 . . . . 0.0 110.772 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.14 -54.65 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.255 1.422 . . . . 0.0 113.944 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 77.3 p -62.93 -24.8 68.03 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.277 1.954 . . . . 0.0 116.277 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -77.13 -6.24 52.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.861 1.265 . . . . 0.0 113.679 173.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 47.2 t -101.08 -49.86 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 119.609 -1.932 . . . . 0.0 108.332 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.6 -60.49 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 127.775 2.43 . . . . 0.0 113.971 -174.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -106.08 -59.34 1.79 Allowed 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 121.078 -1.013 . . . . 0.0 112.766 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -89.94 56.73 3.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.65 -1.281 . . . . 0.0 113.405 -172.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.74 87.05 0.34 Allowed 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 118.581 2.808 . . . . 0.0 118.581 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.0 p -159.85 144.7 15.07 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.305 1.442 . . . . 0.0 108.426 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 58.63 39.15 24.92 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.616 1.566 . . . . 0.0 112.578 -169.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -75.98 131.1 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 O-C-N 120.302 -1.499 . . . . 0.0 112.821 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 27.0 t -82.66 115.81 21.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.072 -1.643 . . . . 0.0 109.328 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -34.81 70.43 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 117.096 2.258 . . . . 0.0 117.096 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -68.68 -48.01 65.02 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.819 1.647 . . . . 0.0 111.6 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 11.8 m -65.08 -44.05 90.2 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.956 1.703 . . . . 0.0 114.145 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -42.24 -54.68 3.6 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.299 1.962 . . . . 0.0 116.299 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.46 -16.46 63.66 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -84.23 -43.3 15.02 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.84 1.305 . . . . 0.0 108.787 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 t -70.79 -40.5 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 120.63 -1.294 . . . . 0.0 112.619 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -65.15 -20.31 66.39 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 121.224 -0.923 . . . . 0.0 112.921 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.68 -30.22 59.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.528 -1.358 . . . . 0.0 112.91 170.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -70.48 -42.67 71.07 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.394 -2.066 . . . . 0.0 114.361 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 48.6 mtt -51.67 -32.72 30.75 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.402 1.881 . . . . 0.0 113.425 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.05 -37.66 46.29 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -73.41 -57.88 3.7 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 123.09 1.424 . . . . 0.0 112.262 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.91 -21.72 59.05 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.073 1.749 . . . . 0.0 115.708 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 69.44 66.27 0.26 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 127.042 2.137 . . . . 0.0 110.322 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -57.75 126.31 26.84 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.6 mm -99.99 113.61 65.28 Favored Pre-proline 0 N--CA 1.431 -1.406 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 174.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -53.07 111.57 0.7 Allowed 'Trans proline' 0 N--CA 1.434 -1.987 0 CA-C-N 124.417 2.613 . . . . 0.0 115.068 150.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -83.6 126.55 32.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.696 1.236 . . . . 0.0 107.728 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -78.2 -36.78 46.89 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.712 -1.242 . . . . 0.0 112.951 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 52' ' ' VAL . 24.9 t -61.17 -40.54 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 127.018 2.127 . . . . 0.0 111.773 177.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.53 -26.48 68.58 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.705 2.402 . . . . 0.0 115.317 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -90.31 -18.66 25.18 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 119.595 -1.941 . . . . 0.0 110.487 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -88.68 -43.94 10.95 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.137 -1.602 . . . . 0.0 115.012 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.53 -42.39 82.81 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.52 -1.987 . . . . 0.0 113.623 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.99 -73.78 0.14 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.039 2.136 . . . . 0.0 109.91 169.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.684 1 N-CA-C 124.488 4.555 . . . . 0.0 124.488 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo . . . . . 0 N--CA 1.433 -2.034 0 N-CA-C 116.298 1.615 . . . . 0.0 116.298 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -120.08 169.75 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 127.595 2.358 . . . . 0.0 105.473 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 p -133.63 163.84 28.53 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 119.272 -2.142 . . . . 0.0 108.417 175.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.456 HD23 ' H ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -49.02 -34.57 13.57 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.314 1.845 . . . . 0.0 115.524 169.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.456 ' H ' HD23 ' A' ' 6' ' ' LEU . 82.8 m-85 -68.43 -38.24 81.01 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.211 1.804 . . . . 0.0 112.972 176.264 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -71.27 -38.09 71.86 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.392 -1.443 . . . . 0.0 110.66 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 t -65.86 -45.68 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.034 2.134 . . . . 0.0 110.709 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.42 -54.48 45.1 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.4 1.88 . . . . 0.0 114.583 175.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -63.56 -35.29 80.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.94 -44.75 79.83 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.713 -1.242 . . . . 0.0 113.137 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.74 -23.64 53.0 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.988 -1.695 . . . . 0.0 111.27 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.03 39.08 6.21 Favored Glycine 0 N--CA 1.431 -1.644 0 C-N-CA 127.776 2.607 . . . . 0.0 112.477 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.23 -178.07 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.094 1.358 . . . . 0.0 110.04 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 p -87.74 157.44 19.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.764 1.268 . . . . 0.0 110.804 172.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.271 13.9 p90 -59.6 -42.71 93.2 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 -175.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -75.9 -10.75 59.68 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.401 -2.062 . . . . 0.0 113.792 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.5 m -68.34 -36.34 79.12 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.863 -1.148 . . . . 0.0 109.939 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.01 -52.74 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 124.571 1.149 . . . . 0.0 113.63 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -57.61 -23.97 53.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 117.516 2.413 . . . . 0.0 117.516 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -16.88 61.57 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.929 -1.107 . . . . 0.0 112.956 173.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.3 t -93.65 -43.67 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-O 122.968 1.366 . . . . 0.0 109.416 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.2 -59.43 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.421 2.288 . . . . 0.0 114.37 -176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -110.94 -59.18 2.0 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.783 -1.198 . . . . 0.0 114.132 -174.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -97.88 63.9 1.69 Allowed 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.98 1.371 . . . . 0.0 112.312 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.16 108.94 3.33 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -163.59 -72.31 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.632 -1.293 . . . . 0.0 107.759 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -80.97 58.33 3.39 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.121 -1.612 . . . . 0.0 112.472 172.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -91.0 125.88 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -70.22 -3.7 18.23 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.24 -50.95 0.65 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -66.42 -55.14 17.17 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 128.353 2.661 . . . . 0.0 109.962 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -60.15 -33.39 72.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.106 1.762 . . . . 0.0 113.964 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -49.67 -46.79 50.18 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.968 1.707 . . . . 0.0 115.06 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.65 -22.13 61.47 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -88.27 -40.24 13.79 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.181 0.991 . . . . 0.0 109.14 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.4 t -70.46 -44.53 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 121.352 -0.842 . . . . 0.0 111.917 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -63.01 -27.11 69.19 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 121.258 -0.901 . . . . 0.0 112.687 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.68 62.64 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.544 1.138 . . . . 0.0 112.176 170.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -70.03 -43.52 71.12 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.917 -1.74 . . . . 0.0 113.691 177.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.2 mtt -57.42 -26.68 61.52 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 125.551 1.541 . . . . 0.0 113.949 169.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -41.05 23.16 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.5 1.12 . . . . 0.0 112.767 -174.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -72.7 -61.3 1.85 Allowed 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.351 1.548 . . . . 0.0 112.243 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.62 -19.91 62.05 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.822 1.649 . . . . 0.0 113.794 -175.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 66.65 63.12 0.51 Allowed 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.547 1.939 . . . . 0.0 109.937 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -55.0 116.73 2.92 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.91 103.96 22.53 Favored Pre-proline 0 N--CA 1.43 -1.47 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 170.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.04 156.93 64.16 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 N-CA-C 119.382 2.801 . . . . 0.0 119.382 158.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -101.18 131.0 47.37 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.605 2.362 . . . . 0.0 109.211 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -78.7 -35.52 44.86 Favored 'General case' 0 N--CA 1.428 -1.527 0 O-C-N 120.334 -1.478 . . . . 0.0 111.19 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 52' ' ' VAL . 3.6 t -56.01 -45.09 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 129.176 2.991 . . . . 0.0 114.754 178.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.42 97.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.643 1.977 . . . . 0.0 112.733 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -68.5 -24.46 64.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.164 1.785 . . . . 0.0 112.11 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -85.99 -49.57 7.73 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.658 -1.276 . . . . 0.0 112.281 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 56' ' ' LEU . 12.4 tp -63.43 -50.52 69.45 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 124.853 1.261 . . . . 0.0 114.04 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.24 -14.11 60.14 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 116.875 2.176 . . . . 0.0 116.875 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.76 0 C-N-CA 126.318 1.914 . . . . 0.0 116.666 -176.692 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo . . . . . 0 N--CA 1.433 -2.071 0 N-CA-C 116.243 1.593 . . . . 0.0 116.243 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.33 162.54 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 104.745 -2.317 . . . . 0.0 104.745 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -126.84 162.2 26.46 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.047 -1.658 . . . . 0.0 108.564 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.402 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.8 OUTLIER -48.59 -33.83 10.48 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.305 1.842 . . . . 0.0 115.374 171.181 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.402 ' H ' HD23 ' B' ' 6' ' ' LEU . 89.2 m-85 -69.69 -38.53 77.02 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 126.319 1.848 . . . . 0.0 112.309 176.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -37.92 75.73 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.863 -1.148 . . . . 0.0 111.001 -177.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 t -65.98 -45.32 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 127.271 2.229 . . . . 0.0 110.312 171.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.67 -54.71 42.92 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.91 1.684 . . . . 0.0 115.473 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.8 -36.34 82.81 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.145 1.378 . . . . 0.0 114.647 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -65.14 -47.34 77.43 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.907 -1.121 . . . . 0.0 112.803 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -75.96 -27.43 57.51 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.708 -1.87 . . . . 0.0 111.636 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.25 38.17 4.37 Favored Glycine 0 N--CA 1.429 -1.774 0 C-N-CA 125.749 1.643 . . . . 0.0 113.224 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -125.11 -178.27 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.011 1.724 . . . . 0.0 111.661 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 p -86.39 157.02 19.95 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.237 1.415 . . . . 0.0 111.149 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . 0.265 16.8 p90 -59.37 -42.31 91.3 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -175.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.51 -12.33 60.21 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.493 -2.005 . . . . 0.0 114.236 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 44.4 m -67.13 -34.51 77.75 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.569 -1.332 . . . . 0.0 110.383 174.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.68 -54.51 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 125.372 1.469 . . . . 0.0 113.033 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m -56.62 -27.16 57.64 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -19.55 65.01 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 124.884 1.274 . . . . 0.0 113.64 173.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.27 -46.01 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-O 123.062 1.41 . . . . 0.0 109.511 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.92 -58.16 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 127.719 2.408 . . . . 0.0 113.832 -174.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -108.51 -66.01 1.08 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.566 -1.334 . . . . 0.0 111.878 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -94.47 64.46 3.09 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.52 -1.363 . . . . 0.0 113.347 -166.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.96 107.3 1.45 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -160.7 -77.07 0.06 Allowed 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.55 -1.344 . . . . 0.0 108.215 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -79.34 59.12 2.77 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.744 1.259 . . . . 0.0 112.817 171.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -90.07 128.14 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 172.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.1 t -72.5 -6.41 43.65 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -176.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.55 -49.75 0.69 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.805 2.042 . . . . 0.0 115.389 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.69 -53.47 40.56 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.011 2.525 . . . . 0.0 110.353 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -61.87 -34.84 76.73 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.029 1.732 . . . . 0.0 114.789 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -48.22 -46.13 34.86 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.46 -23.94 64.85 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -87.09 -37.22 17.61 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.128 1.371 . . . . 0.0 109.111 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.45 -45.61 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 121.045 -1.034 . . . . 0.0 111.415 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -62.71 -28.67 70.11 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 121.269 -0.894 . . . . 0.0 113.089 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.17 -31.6 66.07 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 123.784 0.834 . . . . 0.0 112.334 170.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -68.54 -44.03 75.42 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.289 -2.132 . . . . 0.0 112.765 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 34.5 mtt -55.28 -29.04 57.37 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.757 1.623 . . . . 0.0 114.809 168.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.07 -32.24 30.42 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 124.331 1.052 . . . . 0.0 113.604 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -79.47 -63.01 1.51 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.909 1.338 . . . . 0.0 114.176 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -16.73 59.27 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.307 -173.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.35 69.64 0.26 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 128.635 2.774 . . . . 0.0 109.664 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -58.12 113.19 1.8 Allowed 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.6 103.94 21.55 Favored Pre-proline 0 N--CA 1.429 -1.499 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -65.75 161.78 37.51 Favored 'Trans proline' 0 C--N 1.3 -2.022 0 N-CA-C 120.91 3.388 . . . . 0.0 120.91 158.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -105.12 132.69 51.03 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 126.709 2.004 . . . . 0.0 107.801 173.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -81.52 -33.49 31.8 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.272 -1.517 . . . . 0.0 110.746 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.459 ' H ' HG23 ' B' ' 52' ' ' VAL . 3.6 t -55.1 -43.96 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.772 2.829 . . . . 0.0 113.732 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.9 -27.75 68.42 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.897 2.079 . . . . 0.0 113.999 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -81.33 -23.18 37.97 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.3 -2.125 . . . . 0.0 110.32 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -85.9 -49.31 7.97 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.874 -1.766 . . . . 0.0 112.854 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.52 -52.29 65.11 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.35 -11.68 59.94 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 C-N-CA 125.618 1.58 . . . . 0.0 113.937 -179.003 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo . . . . . 0 N--CA 1.433 -2.053 0 N-CA-C 108.176 -1.509 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.7 t -118.6 162.53 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 N-CA-C 102.598 -3.112 . . . . 0.0 102.598 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 p -120.29 160.48 22.91 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 121.611 2.005 . . . . 0.0 108.923 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -27.81 21.27 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 173.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.59 -46.51 63.31 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 128.201 2.601 . . . . 0.0 110.613 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.0 -29.03 69.34 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.087 -1.633 . . . . 0.0 113.977 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -71.29 -48.6 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 128.647 2.779 . . . . 0.0 110.574 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.51 -54.82 41.29 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -57.57 -36.04 71.16 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.249 1.82 . . . . 0.0 112.756 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -69.49 -45.46 68.88 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.63 -16.65 59.51 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.254 -1.529 . . . . 0.0 110.948 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.38 21.92 28.25 Favored Glycine 0 N--CA 1.43 -1.703 0 C-N-CA 125.467 1.508 . . . . 0.0 113.975 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -115.14 -174.18 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 125.114 1.366 . . . . 0.0 111.266 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -92.44 155.53 17.8 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 120.916 -1.115 . . . . 0.0 109.871 173.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -61.58 -30.01 70.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.143 -2.223 . . . . 0.0 115.592 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -72.14 -15.88 61.98 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.834 -1.166 . . . . 0.0 112.164 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -82.05 -44.56 16.45 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.065 -1.647 . . . . 0.0 110.239 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.73 -49.27 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.9 p -54.46 -30.17 52.05 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.679 2.474 . . . . 0.0 117.679 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -65.1 -24.63 67.49 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.484 1.514 . . . . 0.0 113.027 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.41 -46.88 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-O 122.788 1.28 . . . . 0.0 109.313 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -55.75 -59.04 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 128.062 2.545 . . . . 0.0 115.48 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.21 -21.01 0.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -86.82 55.84 3.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.597 -1.939 . . . . 0.0 113.16 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.71 93.93 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.667 2.387 . . . . 0.0 116.82 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 t -142.62 -96.86 0.12 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.46 1.104 . . . . 0.0 108.716 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -89.25 70.2 8.23 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.323 -1.486 . . . . 0.0 111.321 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.78 118.03 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.709 1.204 . . . . 0.0 108.696 173.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 t -71.88 124.34 24.64 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.888 -1.757 . . . . 0.0 110.014 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.45 71.47 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 121.04 -1.037 . . . . 0.0 113.732 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -65.33 -61.26 2.22 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.803 2.041 . . . . 0.0 110.932 173.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -67.32 -35.36 79.28 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.487 1.915 . . . . 0.0 115.797 -176.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -43.37 -52.53 5.84 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.4 -10.99 38.23 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -93.87 -40.73 10.0 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.43 -1.419 . . . . 0.0 109.236 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.2 t -70.49 -42.47 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.136 -1.602 . . . . 0.0 111.649 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -53.73 -32.19 51.1 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.41 -37.71 63.27 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 124.24 1.016 . . . . 0.0 112.525 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -62.4 -48.57 79.15 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.452 -2.03 . . . . 0.0 114.641 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 ptp -63.54 -14.51 51.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.876 -1.765 . . . . 0.0 114.724 171.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.97 -41.69 13.71 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.925 1.29 . . . . 0.0 113.811 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.5 -45.97 67.69 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.364 -1.46 . . . . 0.0 112.261 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.9 mt -85.31 -21.05 29.12 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.653 1.581 . . . . 0.0 113.945 -175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.495 0.6 OUTLIER 65.06 62.39 0.72 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 127.609 2.363 . . . . 0.0 113.632 -173.35 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -58.49 123.01 14.75 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.972 1.841 . . . . 0.0 115.972 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -103.74 104.83 44.74 Favored Pre-proline 0 N--CA 1.43 -1.429 0 N-CA-C 104.745 -2.316 . . . . 0.0 104.745 172.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -73.1 156.08 51.89 Favored 'Trans proline' 0 C--N 1.3 -2.006 0 CA-C-N 125.332 2.94 . . . . 0.0 115.345 151.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -127.21 142.65 51.43 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 122.641 1.21 . . . . 0.0 113.346 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -80.51 40.12 0.49 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.835 -1.791 . . . . 0.0 114.596 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.32 -56.57 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 127.194 2.198 . . . . 0.0 105.326 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.22 70.82 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 130.642 3.577 . . . . 0.0 113.198 172.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -80.46 -1.74 42.88 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -111.41 -63.54 1.4 Allowed 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.65 -1.906 . . . . 0.0 113.626 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tp -49.47 -39.94 35.32 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.77 -27.57 7.5 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 129.647 3.179 . . . . 0.0 115.35 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.752 0 C-N-CA 124.606 1.098 . . . . 0.0 114.005 174.551 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 N--CA 1.434 -2.028 0 N-CA-C 120.497 3.23 . . . . 0.0 120.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 t -128.32 159.62 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 101.623 -3.473 . . . . 0.0 101.623 175.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 72.1 p -117.35 161.35 19.67 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.825 -1.797 . . . . 0.0 110.473 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -27.9 54.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -72.11 -40.64 68.01 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.646 1.578 . . . . 0.0 111.989 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.18 -31.83 70.73 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.943 1.297 . . . . 0.0 111.441 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.77 -47.1 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 128.393 2.677 . . . . 0.0 110.071 171.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.01 36.79 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -59.25 -34.14 71.87 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.752 2.021 . . . . 0.0 114.74 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -73.96 -44.57 54.37 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 123.69 0.796 . . . . 0.0 112.643 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.98 -17.15 60.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.588 -1.945 . . . . 0.0 112.798 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.67 32.26 9.45 Favored Glycine 0 N--CA 1.43 -1.741 0 C-N-CA 125.992 1.758 . . . . 0.0 113.32 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -126.12 -178.14 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 121.235 -1.156 . . . . 0.0 110.974 -176.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.6 t -87.83 156.6 19.32 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.932 -1.105 . . . . 0.0 109.31 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -63.87 -26.81 68.78 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.04 -2.288 . . . . 0.0 114.946 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -70.7 -19.9 62.72 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.732 2.013 . . . . 0.0 112.614 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -81.19 -44.5 17.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.529 1.132 . . . . 0.0 109.565 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -55.28 -49.21 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 90.9 p -56.52 -29.81 62.3 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -63.49 -26.79 68.88 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.512 -1.368 . . . . 0.0 112.712 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.5 t -85.86 -44.03 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 120.785 -1.197 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -57.27 -65.74 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 126.363 1.865 . . . . 0.0 114.694 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.56 -7.27 0.34 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -93.56 54.72 2.08 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.428 -2.67 . . . . 0.0 112.275 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 87.44 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 127.509 2.324 . . . . 0.0 117.217 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.3 t -136.27 -98.5 0.22 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.157 1.383 . . . . 0.0 109.268 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -91.32 72.83 6.16 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.126 -1.609 . . . . 0.0 111.086 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.95 113.46 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 125.063 1.345 . . . . 0.0 109.164 175.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.6 t -70.61 126.59 30.03 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.871 -1.143 . . . . 0.0 110.761 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.44 -36.02 82.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.509 -1.37 . . . . 0.0 113.57 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.53 -55.0 38.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.245 1.418 . . . . 0.0 112.12 174.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -70.91 -42.25 70.17 Favored 'General case' 0 N--CA 1.429 -1.515 0 N-CA-C 117.16 2.281 . . . . 0.0 117.16 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -40.71 -52.45 2.94 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.33 -20.32 58.84 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 127.038 2.135 . . . . 0.0 115.525 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.98 -40.48 12.99 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-O 123.599 1.666 . . . . 0.0 109.327 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.1 t -72.04 -40.81 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 O-C-N 119.938 -1.726 . . . . 0.0 112.428 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -58.35 -27.93 64.64 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 123.721 0.808 . . . . 0.0 112.363 174.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.15 60.11 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 123.796 0.838 . . . . 0.0 112.779 171.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -62.02 -45.23 94.51 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.941 -2.35 . . . . 0.0 114.816 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 1.1 ptp -65.72 -16.55 63.87 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.853 -1.779 . . . . 0.0 113.826 173.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.64 -45.41 13.49 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.309 0.958 . . . . 0.0 110.894 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.5 -48.36 72.82 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 122.409 1.099 . . . . 0.0 112.933 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 14.5 mt -82.75 -16.75 46.76 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.729 2.012 . . . . 0.0 115.005 -177.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.412 1.4 p-10 60.51 59.24 2.28 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.363 3.065 . . . . 0.0 112.834 -175.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -54.29 129.71 36.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.22 107.42 55.64 Favored Pre-proline 0 N--CA 1.429 -1.484 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -72.26 154.79 56.6 Favored 'Trans proline' 0 C--N 1.3 -2.017 0 CA-C-N 123.982 2.458 . . . . 0.0 115.593 151.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -125.65 141.44 52.02 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 121.183 -0.948 . . . . 0.0 110.532 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -81.31 45.12 0.83 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 123.836 1.779 . . . . 0.0 115.241 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 33.0 t -116.66 -56.19 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 129.326 3.05 . . . . 0.0 104.974 171.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.77 81.1 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 129.377 3.071 . . . . 0.0 112.807 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.34 -0.45 25.65 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.265 -1.522 . . . . 0.0 114.578 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -114.35 -57.25 2.3 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.725 -1.859 . . . . 0.0 115.263 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -53.96 -43.24 69.72 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.657 -1.902 . . . . 0.0 116.003 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.34 -19.73 0.55 Allowed 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 130.682 3.593 . . . . 0.0 118.433 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.715 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 171.821 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 N--CA 1.433 -2.034 0 N-CA-C 119.21 2.735 . . . . 0.0 119.21 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 t -110.88 159.28 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 129.416 3.086 . . . . 0.0 103.627 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.1 p -120.43 161.1 21.81 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.567 -1.333 . . . . 0.0 109.911 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -54.21 -29.5 46.42 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.592 2.357 . . . . 0.0 113.8 173.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.441 ' H ' HD23 ' A' ' 6' ' ' LEU . 79.1 m-85 -71.3 -40.69 70.67 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 126.814 2.045 . . . . 0.0 111.535 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.98 -37.8 86.88 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.758 -1.214 . . . . 0.0 112.119 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG21 ' CG ' ' A' ' 47' ' ' TYR . 4.1 t -67.0 -47.73 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.85 2.46 . . . . 0.0 111.705 172.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.79 -52.41 64.08 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.869 2.068 . . . . 0.0 114.648 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -58.75 -44.82 90.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.208 1.403 . . . . 0.0 112.951 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -62.25 -47.73 83.06 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -77.17 -19.31 56.97 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.185 -1.572 . . . . 0.0 113.792 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.05 37.9 8.16 Favored Glycine 0 N--CA 1.429 -1.796 0 C-N-CA 125.341 1.448 . . . . 0.0 113.979 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.44 -177.63 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.693 1.597 . . . . 0.0 111.827 -174.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.4 t -87.4 165.14 15.8 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.554 -1.341 . . . . 0.0 111.154 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -68.72 -34.53 75.79 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.618 -1.927 . . . . 0.0 112.009 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -88.83 14.95 9.17 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.758 -1.214 . . . . 0.0 113.313 170.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 m -91.04 -50.18 6.0 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 105.253 -2.129 . . . . 0.0 105.253 165.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.1 t -50.71 -60.47 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 127.469 2.308 . . . . 0.0 115.859 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.1 p -54.38 -34.9 62.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -68.16 -21.8 64.88 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 111.727 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.91 -45.66 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 119.477 -2.015 . . . . 0.0 109.125 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.2 t -55.26 -52.4 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.744 2.418 . . . . 0.0 112.43 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -87.8 5.64 39.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.898 0.879 . . . . 0.0 112.877 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 46.85 69.31 0.5 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 -177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.71 -168.78 2.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.981 1.712 . . . . 0.0 113.511 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.7 m -71.79 -64.11 1.0 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.122 -2.236 . . . . 0.0 115.872 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -77.84 69.68 4.11 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -174.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.85 117.03 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 176.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 t -79.55 127.64 32.4 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 121.841 0.829 . . . . 0.0 109.752 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.74 -33.09 73.44 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -64.76 -56.46 13.44 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.021 1.391 . . . . 0.0 110.818 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.6 m -64.36 -42.41 96.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 127.617 2.367 . . . . 0.0 113.912 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -41.1 -48.98 3.44 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.59 -18.8 65.59 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -82.16 -40.56 21.62 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 124.501 1.12 . . . . 0.0 108.261 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.0 t -70.5 -47.78 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.318 1.447 . . . . 0.0 110.932 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.89 -25.94 68.38 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.769 -1.207 . . . . 0.0 112.952 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.8 -35.79 67.42 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.299 1.04 . . . . 0.0 112.356 169.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -64.97 -45.1 87.09 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.153 -1.592 . . . . 0.0 113.514 -178.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.0 mtt -50.96 -37.44 44.57 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.478 1.511 . . . . 0.0 113.844 169.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.5 -35.83 45.86 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.619 1.567 . . . . 0.0 113.524 -171.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -69.78 -62.32 1.43 Allowed 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.666 1.698 . . . . 0.0 111.383 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.91 -27.96 66.24 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 112.973 -1.921 . . . . 0.0 114.488 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 69.84 67.31 0.23 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.415 2.286 . . . . 0.0 108.684 -173.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CG ' HG21 ' A' ' 9' ' ' VAL . 14.5 t80 -63.44 136.14 57.4 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.1 mm -106.87 115.46 60.3 Favored Pre-proline 0 N--CA 1.43 -1.443 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -53.26 107.88 0.23 Allowed 'Trans proline' 0 C--N 1.3 -2.01 0 CA-C-N 123.433 2.262 . . . . 0.0 115.245 150.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -83.2 107.36 15.7 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 119.74 1.155 . . . . 0.0 108.374 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -72.64 -14.59 61.63 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.146 -2.221 . . . . 0.0 114.764 -174.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.07 -44.46 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 119.743 -1.848 . . . . 0.0 111.836 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.03 86.25 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 128.02 2.528 . . . . 0.0 113.34 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -59.83 -29.9 68.57 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.94 2.496 . . . . 0.0 113.387 173.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -87.52 -48.66 7.75 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.562 -1.336 . . . . 0.0 113.86 178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' LEU . 13.2 tp -64.58 -38.05 89.69 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.59 -67.91 0.52 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 121.714 -0.616 . . . . 0.0 109.539 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.74 1 C-N-CA 132.142 4.687 . . . . 0.0 121.433 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 N--CA 1.434 -1.983 0 N-CA-C 118.204 2.348 . . . . 0.0 118.204 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 t -105.66 162.34 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 130.639 3.576 . . . . 0.0 103.727 173.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.7 p -123.97 158.6 31.68 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.202 1.365 . . . . 0.0 108.958 -178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.401 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.7 OUTLIER -55.17 -26.86 41.59 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 174.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.401 ' H ' HD23 ' B' ' 6' ' ' LEU . 65.5 m-85 -71.01 -38.19 72.65 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.763 2.425 . . . . 0.0 111.395 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.17 -39.13 78.91 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.852 1.261 . . . . 0.0 110.93 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.413 ' H ' HG23 ' B' ' 9' ' ' VAL . 3.8 t -66.59 -48.19 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 127.075 2.15 . . . . 0.0 111.309 171.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.07 -50.26 71.47 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.677 1.591 . . . . 0.0 114.983 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -58.71 -42.67 89.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.201 1.8 . . . . 0.0 114.941 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -66.58 -47.68 71.99 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.285 -1.509 . . . . 0.0 113.137 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.65 -23.41 58.66 Favored 'General case' 0 N--CA 1.432 -1.373 0 O-C-N 119.779 -1.825 . . . . 0.0 113.099 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.46 31.99 8.51 Favored Glycine 0 N--CA 1.431 -1.667 0 C-N-CA 126.087 1.803 . . . . 0.0 113.76 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -126.95 -169.58 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 125.636 1.575 . . . . 0.0 111.999 -169.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.0 t -96.38 162.75 13.36 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.506 1.146 . . . . 0.0 110.181 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -66.88 -32.43 73.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.564 -1.96 . . . . 0.0 111.991 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -88.29 6.05 38.88 Favored 'General case' 0 CA--C 1.488 -1.407 0 O-C-N 120.141 -1.599 . . . . 0.0 113.616 170.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 89.0 m -84.38 -47.99 10.13 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 104.466 -2.42 . . . . 0.0 104.466 166.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.443 ' O ' HG23 ' B' ' 24' ' ' VAL . 74.0 t -50.65 -63.09 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 N-CA-C 116.64 2.089 . . . . 0.0 116.64 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.8 p -56.99 -33.4 67.08 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -23.36 66.32 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.727 -1.233 . . . . 0.0 111.852 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.68 -49.63 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 120.055 -1.653 . . . . 0.0 109.888 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 20' ' ' VAL . 57.5 t -48.6 -54.77 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 127.952 2.501 . . . . 0.0 115.168 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -85.56 -11.35 54.26 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.9 1.28 . . . . 0.0 113.267 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.253 33.5 mt-30 66.24 70.58 0.42 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.961 2.104 . . . . 0.0 113.903 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.23 -162.07 0.8 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.129 1.372 . . . . 0.0 112.569 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 74.9 m -79.74 -58.32 3.24 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.834 -1.791 . . . . 0.0 114.458 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -82.9 69.81 9.78 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 78.4 t -101.55 115.51 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 25.1 t -77.88 122.61 25.7 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.529 1.132 . . . . 0.0 110.468 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -28.93 68.15 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -175.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.411 ' HG3' ' H ' ' B' ' 33' ' ' LYS . 14.9 mtmt -69.09 -55.65 10.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.61 1.564 . . . . 0.0 111.492 174.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 5.1 m -68.72 -34.18 75.2 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -41.79 -51.79 4.12 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.01 -16.62 64.06 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -83.16 -40.69 19.4 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -70.24 -47.98 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 121.553 -0.717 . . . . 0.0 112.507 173.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.251 39.3 mt-10 -62.83 -27.84 69.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 118.625 0.648 . . . . 0.0 112.115 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.98 -38.63 72.74 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 121.14 -0.975 . . . . 0.0 112.16 169.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.25 -42.27 99.17 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.597 -1.94 . . . . 0.0 114.713 -178.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 30.3 mtt -54.48 -29.79 51.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.728 1.611 . . . . 0.0 115.02 168.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.88 -31.0 20.99 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 125.128 1.371 . . . . 0.0 113.662 -171.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.06 -59.02 2.92 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 124.021 1.867 . . . . 0.0 108.747 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -76.53 -23.51 53.65 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.282 2.233 . . . . 0.0 115.295 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.28 64.23 0.85 Allowed 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.932 1.693 . . . . 0.0 111.051 -173.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -61.14 132.5 53.93 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 11.2 mm -100.85 117.41 62.62 Favored Pre-proline 0 N--CA 1.431 -1.425 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -53.89 108.9 0.31 Allowed 'Trans proline' 0 N--CA 1.433 -2.038 0 CA-C-N 124.058 2.485 . . . . 0.0 116.306 150.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -82.85 112.38 19.61 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 mtt85 -79.28 -11.44 59.94 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.086 -2.259 . . . . 0.0 113.293 -173.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 t -75.6 -42.85 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 120.139 -1.601 . . . . 0.0 111.233 177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.47 70.66 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 128.187 2.595 . . . . 0.0 112.921 171.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -73.25 -26.16 61.0 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.876 -1.765 . . . . 0.0 112.52 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -91.68 -44.65 8.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.705 1.742 . . . . 0.0 115.705 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.14 -45.4 85.17 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 -69.72 0.29 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.333 1.053 . . . . 0.0 111.183 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.685 0 C-N-CA 130.676 3.988 . . . . 0.0 119.534 175.881 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo . . . . . 0 N--CA 1.435 -1.958 0 N-CA-C 118.658 2.522 . . . . 0.0 118.658 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.1 169.56 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 130.447 3.499 . . . . 0.0 104.977 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 p -132.86 159.44 39.85 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.721 -1.862 . . . . 0.0 108.295 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.46 -31.29 22.71 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 172.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -74.52 -30.49 61.8 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.271 1.829 . . . . 0.0 112.269 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -40.83 69.96 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.422 1.489 . . . . 0.0 110.484 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -66.14 -47.5 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 127.872 2.469 . . . . 0.0 111.347 173.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.22 78.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.59 -45.15 92.73 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.76 1.624 . . . . 0.0 113.597 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.72 -48.61 78.49 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.061 -1.649 . . . . 0.0 113.389 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -74.7 -14.09 60.69 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.563 -1.336 . . . . 0.0 113.38 -177.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.59 31.65 36.17 Favored Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 125.805 1.669 . . . . 0.0 112.788 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.0 m -124.33 -168.72 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 125.131 1.372 . . . . 0.0 109.566 -176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 p -102.64 167.11 10.12 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.984 -1.072 . . . . 0.0 111.626 175.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -68.37 -29.89 68.7 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 118.792 -2.443 . . . . 0.0 113.49 176.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -63.06 -40.77 98.67 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.958 2.103 . . . . 0.0 111.122 171.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -66.06 -42.56 89.29 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.702 -1.249 . . . . 0.0 111.581 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG22 HG13 ' A' ' 38' ' ' VAL . 55.1 t -60.28 -55.59 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 176.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.6 t -55.53 -32.35 62.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.91 -36.04 62.3 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.112 1.765 . . . . 0.0 113.587 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.5 t -88.69 -45.43 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 125.13 1.372 . . . . 0.0 110.027 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 20' ' ' VAL . 54.3 t -55.87 -46.08 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 128.013 2.525 . . . . 0.0 113.906 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -90.81 0.02 57.58 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.389 -1.444 . . . . 0.0 114.166 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 52.59 64.31 1.9 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.996 2.119 . . . . 0.0 115.687 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.56 -174.71 2.16 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 121.959 0.885 . . . . 0.0 111.901 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.9 m -82.44 -54.24 5.36 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.746 -1.846 . . . . 0.0 110.229 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -77.26 70.48 3.66 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.086 1.354 . . . . 0.0 113.242 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.7 t -105.68 125.29 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 173.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 t -72.56 119.79 17.28 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 121.085 -1.009 . . . . 0.0 110.121 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.58 -29.48 70.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.401 1.48 . . . . 0.0 114.019 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -66.72 -55.82 13.35 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.764 -1.21 . . . . 0.0 110.756 174.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -65.57 -37.91 88.02 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.657 1.983 . . . . 0.0 115.727 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -43.36 -49.59 6.94 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.54 -19.63 63.84 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.685 1.994 . . . . 0.0 115.696 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -84.58 -43.66 14.26 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.947 -1.095 . . . . 0.0 108.319 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.439 HG13 HG22 ' A' ' 20' ' ' VAL . 7.4 t -68.18 -46.24 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 124.048 0.939 . . . . 0.0 111.503 176.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -58.12 -29.12 65.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 121.182 -0.949 . . . . 0.0 112.668 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.21 71.77 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 123.141 0.576 . . . . 0.0 112.368 172.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -66.19 -41.67 89.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.524 -1.985 . . . . 0.0 115.077 178.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.9 mtt -55.99 -27.26 52.0 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 168.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.32 -42.48 14.56 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.505 1.122 . . . . 0.0 113.313 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -68.32 -52.32 34.85 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 123.903 1.811 . . . . 0.0 112.603 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.31 -23.75 37.65 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 113.437 -1.71 . . . . 0.0 113.189 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.86 63.88 0.31 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.926 2.091 . . . . 0.0 110.514 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -60.07 124.33 19.89 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -105.69 105.25 52.21 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 169.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -64.56 115.06 2.99 Favored 'Trans proline' 0 C--N 1.299 -2.037 0 CA-C-N 123.474 2.277 . . . . 0.0 115.95 154.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -75.51 140.37 42.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.255 1.422 . . . . 0.0 112.817 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -73.19 -28.85 62.43 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.95 -1.719 . . . . 0.0 113.268 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -62.29 -40.97 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.702 -1.874 . . . . 0.0 113.293 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.41 -24.17 65.63 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.745 2.418 . . . . 0.0 113.49 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -81.88 -32.78 30.86 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.712 -1.242 . . . . 0.0 111.243 173.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -86.72 -36.74 18.49 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 -172.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 56' ' ' LEU . 8.0 tp -71.32 -42.68 68.31 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.624 -1.923 . . . . 0.0 112.48 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.68 -58.05 10.25 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.235 2.214 . . . . 0.0 108.779 165.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.727 0 N-CA-C 121.927 3.531 . . . . 0.0 121.927 162.159 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 N--CA 1.434 -1.972 0 N-CA-C 117.904 2.232 . . . . 0.0 117.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.05 164.94 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 N-CA-C 103.077 -2.934 . . . . 0.0 103.077 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 20.2 p -128.26 160.98 30.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.769 -1.832 . . . . 0.0 109.521 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.435 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.8 OUTLIER -50.85 -31.7 18.06 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 171.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.435 ' H ' HD23 ' B' ' 6' ' ' LEU . 60.5 m-85 -72.08 -35.1 69.15 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.28 1.432 . . . . 0.0 112.538 176.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -40.2 77.07 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.637 1.575 . . . . 0.0 110.657 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 t -64.88 -48.49 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.726 2.41 . . . . 0.0 111.365 173.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.35 83.51 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -61.67 -43.72 98.32 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.867 1.667 . . . . 0.0 113.364 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -62.91 -49.47 74.67 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.149 0.98 . . . . 0.0 113.184 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.56 -10.63 59.73 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.724 -1.235 . . . . 0.0 113.377 -176.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.12 27.86 61.37 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 125.845 1.688 . . . . 0.0 113.8 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -116.26 -152.89 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.389 1.476 . . . . 0.0 110.632 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.4 p -120.51 165.05 15.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.785 1.634 . . . . 0.0 109.546 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -66.98 -30.06 70.07 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.731 -1.855 . . . . 0.0 113.249 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -65.46 -39.33 91.87 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.123 1.769 . . . . 0.0 111.595 172.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -66.26 -43.27 86.95 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.643 1.177 . . . . 0.0 111.335 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.402 ' O ' HG23 ' B' ' 24' ' ' VAL . 54.4 t -58.15 -58.27 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 177.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.1 t -58.03 -29.19 65.15 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -54.24 -36.03 63.12 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.12 1.768 . . . . 0.0 113.352 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 37.4 t -88.13 -46.67 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 124.26 1.024 . . . . 0.0 110.497 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 20' ' ' VAL . 58.0 t -55.35 -48.52 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.073 2.149 . . . . 0.0 114.52 -178.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -84.06 -15.06 48.85 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 66.84 70.96 0.39 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.944 1.697 . . . . 0.0 113.655 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.64 -170.31 1.52 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 122.368 1.08 . . . . 0.0 111.957 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.3 m -90.08 -52.55 4.9 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.274 -2.141 . . . . 0.0 109.696 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -78.67 73.96 5.21 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.794 0.838 . . . . 0.0 112.604 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.48 129.14 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 174.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.8 t -75.71 119.13 19.32 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.244 -1.535 . . . . 0.0 110.325 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.92 70.11 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -67.31 -56.79 8.3 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.265 1.426 . . . . 0.0 110.514 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.3 m -65.46 -36.23 83.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.883 2.073 . . . . 0.0 116.324 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -45.11 -51.57 10.14 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.14 -15.88 48.78 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 117.028 2.232 . . . . 0.0 117.028 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -85.65 -43.37 13.49 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.153 -1.592 . . . . 0.0 107.32 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 t -68.07 -45.82 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 120.862 -1.148 . . . . 0.0 113.197 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -58.2 -31.76 67.62 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 123.967 0.907 . . . . 0.0 111.693 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.9 -38.62 79.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.475 -0.766 . . . . 0.0 113.043 171.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.75 -40.84 92.5 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.418 -2.051 . . . . 0.0 114.534 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 33.0 mtt -56.51 -30.55 63.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.89 -39.08 22.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.417 1.087 . . . . 0.0 113.421 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.75 -52.5 24.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 124.5 2.095 . . . . 0.0 112.224 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.7 -22.65 34.44 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.325 1.45 . . . . 0.0 113.053 -174.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.52 66.33 0.25 Allowed 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 127.088 2.155 . . . . 0.0 109.484 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -63.32 126.2 26.67 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.76 105.0 53.75 Favored Pre-proline 0 N--CA 1.43 -1.455 0 N-CA-C 102.724 -3.065 . . . . 0.0 102.724 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -65.23 114.01 2.66 Favored 'Trans proline' 0 C--N 1.299 -2.064 0 CA-C-N 123.034 2.119 . . . . 0.0 115.478 153.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -75.55 141.34 42.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.32 1.533 . . . . 0.0 114.643 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -70.14 -32.39 70.36 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.778 -1.826 . . . . 0.0 114.202 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.29 -41.36 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-O 123.979 1.847 . . . . 0.0 113.562 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.36 -24.57 64.81 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.838 2.455 . . . . 0.0 113.027 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -80.75 -33.92 34.71 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.581 1.181 . . . . 0.0 111.944 173.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -84.49 -37.93 20.71 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 119.26 3.059 . . . . 0.0 119.26 -172.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' B' ' 56' ' ' LEU . 7.9 tp -71.16 -45.47 63.44 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.109 -2.245 . . . . 0.0 111.821 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.66 67.29 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.375 2.67 . . . . 0.0 110.314 166.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.705 0 N-CA-C 121.699 3.44 . . . . 0.0 121.699 162.033 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo . . . . . 0 N--CA 1.434 -2.003 0 N-CA-C 118.885 2.61 . . . . 0.0 118.885 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.3 t -140.69 163.16 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -126.42 162.2 26.13 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 119.783 1.174 . . . . 0.0 109.84 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -51.48 -31.49 23.68 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.654 1.982 . . . . 0.0 115.485 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -72.97 -37.87 66.91 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.517 1.927 . . . . 0.0 111.799 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -69.11 -38.96 79.19 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.403 1.481 . . . . 0.0 111.246 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG21 ' CG ' ' A' ' 47' ' ' TYR . 14.9 t -69.42 -44.65 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.545 1.938 . . . . 0.0 111.296 173.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -52.44 65.37 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.115 1.366 . . . . 0.0 113.458 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.57 -40.57 92.15 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.02 1.328 . . . . 0.0 113.572 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -64.22 -48.47 75.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.736 -1.228 . . . . 0.0 113.6 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.88 -14.76 59.85 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.833 -1.792 . . . . 0.0 112.802 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.12 36.44 10.0 Favored Glycine 0 N--CA 1.43 -1.717 0 O-C-N 120.165 -1.585 . . . . 0.0 113.568 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.94 -171.21 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 125.042 1.337 . . . . 0.0 111.424 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.4 t -97.86 167.47 10.91 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.945 1.355 . . . . 0.0 110.138 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -73.14 -26.43 61.21 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.878 -1.764 . . . . 0.0 112.189 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.99 -40.09 87.31 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.979 1.311 . . . . 0.0 112.116 170.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.0 m -60.43 -44.16 96.07 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.929 2.092 . . . . 0.0 111.512 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.68 -61.07 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 126.592 1.957 . . . . 0.0 115.105 173.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -52.33 -33.78 44.2 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -23.03 64.99 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.093 -1.629 . . . . 0.0 114.759 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 t -90.44 -51.05 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.468 -1.395 . . . . 0.0 109.701 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.4 t -52.86 -49.68 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 129.186 2.995 . . . . 0.0 114.359 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.75 -1.82 29.23 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.922 1.289 . . . . 0.0 114.443 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.256 77.0 mt-30 62.53 56.56 2.02 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.03 -164.63 0.84 Allowed 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.601 -1.312 . . . . 0.0 111.285 176.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -112.57 -72.19 0.72 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.563 -1.336 . . . . 0.0 113.554 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -71.29 82.89 0.76 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 120.014 3.338 . . . . 0.0 120.014 -167.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.3 t -133.42 -80.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 N-CA-C 104.771 -2.307 . . . . 0.0 104.771 167.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -179.04 -169.97 0.17 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 101.161 -3.644 . . . . 0.0 101.161 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.43 -30.56 3.64 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 122.036 2.198 . . . . 0.0 114.676 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -67.42 -52.73 36.2 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.6 m -48.4 -40.62 26.41 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 127.068 2.147 . . . . 0.0 116.338 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -29.86 -52.98 0.14 Allowed 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 118.372 2.731 . . . . 0.0 118.372 169.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.31 -21.94 66.78 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.18 2.192 . . . . 0.0 116.755 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -82.98 -36.99 24.64 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.875 1.67 . . . . 0.0 108.97 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.1 t -67.14 -41.08 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 121.774 -0.579 . . . . 0.0 112.143 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -51.82 -31.2 26.49 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.89 70.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.881 1.272 . . . . 0.0 113.607 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -62.24 -38.66 90.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.499 -2.001 . . . . 0.0 115.698 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.0 mtt -53.22 -31.1 41.51 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.05 -26.4 23.73 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.035 1.334 . . . . 0.0 113.642 -172.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.67 -57.98 3.54 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-O 123.448 1.594 . . . . 0.0 111.911 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -75.98 -22.63 55.67 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 127.148 2.179 . . . . 0.0 114.547 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.95 65.68 0.17 Allowed 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 127.115 2.166 . . . . 0.0 108.597 -173.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.431 ' CG ' HG21 ' A' ' 9' ' ' VAL . 11.4 t80 -62.94 121.32 13.23 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.0 109.4 63.07 Favored Pre-proline 0 N--CA 1.43 -1.455 0 N-CA-C 103.131 -2.914 . . . . 0.0 103.131 170.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -65.42 135.36 42.37 Favored 'Trans proline' 0 C--N 1.299 -2.03 0 CA-C-N 122.695 1.998 . . . . 0.0 114.603 151.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -93.31 133.88 36.09 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.803 -1.186 . . . . 0.0 108.442 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -72.96 -15.19 61.56 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.142 -1.598 . . . . 0.0 111.865 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.8 t -64.77 -47.94 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 127.354 2.261 . . . . 0.0 111.816 171.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.48 -24.19 65.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.438 1.895 . . . . 0.0 113.037 174.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -83.32 -16.08 47.58 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.88 -1.763 . . . . 0.0 112.512 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -101.67 -40.58 6.92 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 56' ' ' LEU . 10.2 tp -65.43 -43.73 89.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.983 -1.698 . . . . 0.0 113.738 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.47 -73.4 0.17 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.377 1.071 . . . . 0.0 108.734 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.802 1 C-N-CA 131.969 4.604 . . . . 0.0 121.461 174.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo . . . . . 0 N--CA 1.433 -2.031 0 N-CA-C 106.464 -2.168 . . . . 0.0 106.464 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.91 166.39 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 126.388 1.875 . . . . 0.0 106.036 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -124.89 159.52 30.94 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.851 -1.156 . . . . 0.0 108.13 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -49.49 -34.07 16.09 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 169.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -72.16 -34.01 68.15 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.653 1.981 . . . . 0.0 113.071 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -72.76 -39.9 66.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 122.328 1.061 . . . . 0.0 110.392 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.5 -44.18 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 126.102 1.761 . . . . 0.0 111.086 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.52 73.3 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.69 -40.51 92.45 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.576 -1.328 . . . . 0.0 113.287 175.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.451 ' CE1' ' HG3' ' B' ' 44' ' ' GLU . 50.5 t80 -63.29 -47.96 80.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.235 -1.541 . . . . 0.0 113.495 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.573 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -77.44 -13.6 59.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.583 -1.323 . . . . 0.0 113.432 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.29 33.81 22.02 Favored Glycine 0 N--CA 1.429 -1.78 0 C-N-CA 125.488 1.518 . . . . 0.0 113.927 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 26.2 m -127.58 -174.04 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.862 1.665 . . . . 0.0 112.083 -175.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 32.3 t -95.02 168.37 10.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 123.604 1.668 . . . . 0.0 110.687 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -75.52 -24.89 56.84 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.766 -1.833 . . . . 0.0 112.493 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -68.09 -41.65 81.54 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.459 1.504 . . . . 0.0 110.559 170.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.1 m -59.68 -43.8 93.88 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 125.797 1.639 . . . . 0.0 112.052 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.46 -61.06 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 126.336 1.854 . . . . 0.0 115.342 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.2 t -55.68 -31.96 62.85 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -21.68 63.84 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.144 -1.598 . . . . 0.0 114.601 172.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.58 -51.17 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 120.111 -1.618 . . . . 0.0 109.163 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 t -51.39 -52.47 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 129.037 2.935 . . . . 0.0 114.465 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.89 -4.05 28.52 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.26 76.4 mt-30 64.0 67.91 0.59 Allowed 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.45 -151.5 0.23 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.275 -1.516 . . . . 0.0 111.106 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.9 m -124.94 -75.17 0.6 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.769 -1.207 . . . . 0.0 112.233 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -70.6 83.34 0.61 Allowed 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 119.294 3.072 . . . . 0.0 119.294 -168.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.19 -74.75 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 168.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 29.8 t 173.71 -173.25 0.05 Allowed 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 101.219 -3.623 . . . . 0.0 101.219 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -122.73 -25.05 4.73 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -70.82 -54.78 10.3 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.489 -1.382 . . . . 0.0 113.698 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 7.7 m -47.56 -41.34 21.16 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.901 2.08 . . . . 0.0 116.304 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -30.0 -51.04 0.12 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 118.632 2.827 . . . . 0.0 118.632 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.11 -24.76 67.52 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -80.48 -34.23 35.99 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.98 1.712 . . . . 0.0 109.769 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 t -70.69 -40.92 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.228 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -52.32 -33.01 40.61 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 122.432 1.11 . . . . 0.0 113.343 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.28 73.39 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.706 1.202 . . . . 0.0 114.228 174.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.573 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -64.83 -43.0 94.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.472 -1.392 . . . . 0.0 114.671 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 43.7 mtt -48.13 -34.05 9.25 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 126.249 1.82 . . . . 0.0 114.78 171.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.9 -25.4 35.0 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -174.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.451 ' HG3' ' CE1' ' B' ' 12' ' ' TYR . 5.7 mm-40 -78.94 -61.2 2.09 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.338 -1.476 . . . . 0.0 111.377 -176.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.25 -16.59 54.38 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.052 1.741 . . . . 0.0 113.202 -175.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.14 63.23 0.1 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.316 2.246 . . . . 0.0 109.506 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -59.69 120.76 10.09 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.29 101.13 33.26 Favored Pre-proline 0 N--CA 1.43 -1.435 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -61.83 129.92 29.3 Favored 'Trans proline' 0 C--N 1.3 -2.009 0 CA-C-N 123.827 2.403 . . . . 0.0 115.459 152.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -91.12 134.81 34.22 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 121.078 -1.014 . . . . 0.0 109.321 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -70.65 -14.44 62.47 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.369 -1.457 . . . . 0.0 113.789 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 9.8 t -65.23 -49.0 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 127.921 2.488 . . . . 0.0 111.375 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.18 -21.81 65.77 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 124.338 2.018 . . . . 0.0 113.451 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -84.69 -19.16 33.26 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.337 -1.477 . . . . 0.0 111.11 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -100.09 -36.88 9.18 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' B' ' 56' ' ' LEU . 10.6 tp -68.63 -42.69 77.71 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 120.934 1.697 . . . . 0.0 113.515 -176.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -75.75 0.11 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.285 1.434 . . . . 0.0 109.065 167.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 1 C-N-CA 130.766 4.031 . . . . 0.0 121.558 173.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo . . . . . 0 N--CA 1.433 -2.043 0 CA-C-O 122.083 0.785 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.5 t -120.7 160.79 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 101.74 -3.43 . . . . 0.0 101.74 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -121.04 158.39 27.93 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.011 -1.681 . . . . 0.0 109.678 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 7' ' ' TYR . 1.1 pt? -49.34 -31.85 10.11 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.381 1.872 . . . . 0.0 114.863 171.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.404 ' H ' HD23 ' A' ' 6' ' ' LEU . 78.6 m-85 -71.13 -40.74 71.24 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 125.791 1.636 . . . . 0.0 112.45 175.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -68.23 -39.25 82.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.817 1.247 . . . . 0.0 110.38 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 t -64.78 -45.91 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 126.608 1.963 . . . . 0.0 111.243 172.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.24 70.91 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 125.714 1.605 . . . . 0.0 114.378 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -61.12 -36.23 79.18 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.935 1.294 . . . . 0.0 114.04 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -67.38 -49.18 64.99 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.266 -0.896 . . . . 0.0 113.001 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -75.28 -21.83 58.21 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.338 -2.101 . . . . 0.0 112.699 -178.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.9 34.97 6.97 Favored Glycine 0 N--CA 1.43 -1.715 0 O-C-N 119.9 -1.75 . . . . 0.0 113.595 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.71 -165.4 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 124.645 1.178 . . . . 0.0 111.3 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.2 t -98.93 162.34 13.14 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 123.073 1.416 . . . . 0.0 108.546 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -66.66 -33.95 76.79 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.991 -1.693 . . . . 0.0 112.8 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -70.11 -30.1 67.21 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.005 -1.685 . . . . 0.0 113.738 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.2 m -61.52 -42.63 99.09 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.057 1.343 . . . . 0.0 110.739 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 24' ' ' VAL . 89.6 t -58.64 -59.21 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 125.242 1.417 . . . . 0.0 113.627 171.222 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.7 m -55.44 -25.77 38.16 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 118.62 2.822 . . . . 0.0 118.62 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -71.77 -23.97 61.68 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.049 -1.657 . . . . 0.0 111.999 173.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -84.48 -48.62 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-O 123.889 1.804 . . . . 0.0 110.14 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.7 t -54.81 -43.34 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 128.336 2.654 . . . . 0.0 113.07 178.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -84.21 -4.92 59.14 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 60.94 54.4 3.45 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.79 1.636 . . . . 0.0 114.811 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.44 -179.08 7.3 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.6 m -78.72 -59.55 2.74 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.605 -1.309 . . . . 0.0 112.844 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -79.55 72.58 6.22 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.5 t -114.21 135.26 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 127.649 2.379 . . . . 0.0 106.488 173.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.2 t -84.08 132.06 34.74 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 121.3 -0.875 . . . . 0.0 109.228 177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -33.53 73.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -70.32 -56.27 7.12 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-O 123.11 1.433 . . . . 0.0 110.693 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -57.71 -37.09 72.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.691 1.996 . . . . 0.0 114.778 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -49.83 -48.23 51.02 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.93 -10.55 29.82 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -95.24 -43.11 8.21 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.723 -1.236 . . . . 0.0 108.904 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.85 -46.87 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 124.636 1.174 . . . . 0.0 113.025 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -56.4 -35.05 67.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.951 1.3 . . . . 0.0 111.972 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.17 -37.18 72.2 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.483 1.513 . . . . 0.0 113.293 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -64.05 -41.77 97.27 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.055 -1.653 . . . . 0.0 114.4 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.1 mtt -57.59 -27.85 63.09 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 120.654 -1.279 . . . . 0.0 113.649 171.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.84 -31.86 20.58 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 123.954 0.902 . . . . 0.0 113.32 -172.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -72.18 -59.33 2.79 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 123.145 1.45 . . . . 0.0 112.09 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.84 -24.13 58.55 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.197 1.799 . . . . 0.0 114.285 -176.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 72.11 67.9 0.14 Allowed 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.727 2.411 . . . . 0.0 109.396 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -63.08 115.25 4.28 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.12 108.2 60.74 Favored Pre-proline 0 N--CA 1.43 -1.452 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 167.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -65.65 152.05 82.84 Favored 'Trans proline' 0 N--CA 1.434 -2.026 0 CA-C-N 123.913 2.433 . . . . 0.0 118.404 155.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -96.41 142.46 28.49 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.805 1.288 . . . . 0.0 109.004 175.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -82.36 -23.06 35.21 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 118.927 -2.358 . . . . 0.0 112.729 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -57.14 -41.29 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 C-N-CA 127.822 2.449 . . . . 0.0 111.049 170.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -24.33 66.42 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.703 2.801 . . . . 0.0 114.464 176.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -88.51 -32.11 18.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.429 -1.42 . . . . 0.0 112.101 174.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -80.47 -46.04 16.56 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 116.534 2.05 . . . . 0.0 116.534 -172.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.81 -46.13 79.77 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.902 -1.749 . . . . 0.0 112.099 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.91 -44.89 50.49 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 130.012 3.325 . . . . 0.0 113.213 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.731 0 C-N-CA 123.482 0.563 . . . . 0.0 113.778 171.565 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 N--CA 1.433 -2.056 0 CA-C-O 121.62 0.592 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.9 t -125.41 164.18 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 100.819 -3.771 . . . . 0.0 100.819 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 19.4 p -124.81 160.37 28.88 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.764 -1.835 . . . . 0.0 108.146 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.409 ' HG ' ' HB2' ' B' ' 17' ' ' TYR . 1.4 pt? -51.37 -30.63 19.51 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 171.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -70.23 -39.77 74.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.96 1.704 . . . . 0.0 111.22 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.33 -34.51 74.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.77 1.228 . . . . 0.0 113.074 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 t -66.79 -47.02 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.506 0 C-N-CA 126.966 2.106 . . . . 0.0 109.908 171.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.74 68.54 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -58.66 -39.09 79.64 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.115 1.766 . . . . 0.0 112.564 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -67.98 -48.16 66.58 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.106 -1.621 . . . . 0.0 114.368 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.88 -20.73 59.6 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.551 -1.343 . . . . 0.0 113.226 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.54 29.94 15.03 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 124.962 1.268 . . . . 0.0 112.567 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.4 m -121.26 -176.39 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 C-N-CA 126.121 1.768 . . . . 0.0 111.364 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.5 t -84.44 163.2 19.62 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 123.762 1.744 . . . . 0.0 110.321 170.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.409 ' HB2' ' HG ' ' B' ' 6' ' ' LEU . 48.0 p90 -69.89 -32.5 70.86 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.163 -2.211 . . . . 0.0 112.24 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -69.65 -34.3 73.81 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.327 -1.483 . . . . 0.0 112.247 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 85.2 m -59.87 -44.01 94.4 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.624 1.969 . . . . 0.0 110.673 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.421 ' HA ' HG11 ' B' ' 38' ' ' VAL . 65.7 t -57.12 -62.01 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.88 1.272 . . . . 0.0 113.611 170.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -54.64 -28.2 45.24 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 118.726 2.861 . . . . 0.0 118.726 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -69.12 -21.47 64.03 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.57 -1.956 . . . . 0.0 114.017 172.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -85.83 -45.06 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 O-C-N 120.458 -1.402 . . . . 0.0 109.688 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 20' ' ' VAL . 37.7 t -59.52 -46.58 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 128.132 2.573 . . . . 0.0 113.31 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -79.78 -2.52 43.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.62 -1.3 . . . . 0.0 113.686 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 56.8 61.64 2.55 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.063 2.145 . . . . 0.0 113.768 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.27 -176.91 5.83 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 123.273 1.511 . . . . 0.0 114.332 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -78.98 -62.83 1.57 Allowed 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.616 -1.302 . . . . 0.0 114.216 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -81.1 71.69 8.09 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.218 1.485 . . . . 0.0 114.862 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.8 t -111.95 139.01 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 104.296 -2.483 . . . . 0.0 104.296 172.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.2 t -88.16 138.3 31.57 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-O 122.14 0.971 . . . . 0.0 109.006 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.83 71.84 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.609 -1.307 . . . . 0.0 114.409 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -72.52 -52.95 13.47 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.286 -1.509 . . . . 0.0 111.142 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.4 m -61.67 -38.32 87.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.597 1.959 . . . . 0.0 115.177 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -50.87 -47.68 60.41 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.1 -11.14 12.5 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.032 2.133 . . . . 0.0 115.766 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -96.11 -41.53 8.68 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.131 -1.606 . . . . 0.0 109.117 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' B' ' 20' ' ' VAL . 22.7 t -68.67 -47.22 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 121.375 -0.828 . . . . 0.0 113.021 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -57.54 -32.19 66.84 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.445 1.498 . . . . 0.0 110.816 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.4 -31.57 62.38 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.525 1.13 . . . . 0.0 113.198 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -67.98 -43.62 78.54 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.724 -1.86 . . . . 0.0 113.638 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 34.8 mtt -53.82 -28.92 38.38 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.288 1.835 . . . . 0.0 114.077 170.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.89 -37.03 24.82 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.17 -62.3 1.44 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.627 -1.296 . . . . 0.0 112.761 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.3 -18.22 53.08 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.252 0.3 OUTLIER 71.09 67.21 0.17 Allowed 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 127.05 2.14 . . . . 0.0 111.459 -178.22 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -59.84 118.39 6.14 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.59 105.22 56.92 Favored Pre-proline 0 N--CA 1.43 -1.441 0 N-CA-C 104.214 -2.513 . . . . 0.0 104.214 168.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -61.71 145.26 97.53 Favored 'Trans proline' 0 C--N 1.3 -2.019 0 N-CA-C 118.923 2.624 . . . . 0.0 118.923 154.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -90.24 144.72 25.59 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 122.73 1.252 . . . . 0.0 110.064 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -81.41 -23.63 37.46 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.184 -2.198 . . . . 0.0 111.949 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 t -56.69 -42.46 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 127.274 2.229 . . . . 0.0 112.253 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.49 68.34 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 128.665 2.786 . . . . 0.0 114.465 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -87.54 -31.32 19.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.913 -1.117 . . . . 0.0 112.044 174.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -81.08 -42.52 20.87 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -173.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' B' ' 56' ' ' LEU . 6.7 tp -67.65 -46.77 71.45 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.166 -1.584 . . . . 0.0 110.9 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.77 -44.62 38.97 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 129.926 3.29 . . . . 0.0 113.265 169.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.706 0 O-C-N 121.326 -0.859 . . . . 0.0 114.057 171.94 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 N--CA 1.433 -2.037 0 CA-C-O 121.864 0.693 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.15 163.89 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 106.498 -1.668 . . . . 0.0 106.498 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.1 p -133.03 160.99 35.55 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 176.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -29.56 25.62 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 172.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -70.56 -38.07 74.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.901 2.08 . . . . 0.0 111.907 175.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.38 -38.2 77.91 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.777 1.631 . . . . 0.0 111.171 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 t -64.5 -46.79 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 127.201 2.2 . . . . 0.0 110.816 170.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -51.37 69.92 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.97 -35.2 77.77 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.171 1.388 . . . . 0.0 114.042 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -69.61 -47.55 63.1 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.246 -1.534 . . . . 0.0 113.285 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -77.64 -17.71 57.48 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.973 -1.704 . . . . 0.0 113.326 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.92 45.45 7.66 Favored Glycine 0 N--CA 1.431 -1.682 0 O-C-N 120.333 -1.479 . . . . 0.0 112.271 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -135.79 -178.04 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.77 1.628 . . . . 0.0 110.647 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.0 p -86.86 166.1 15.44 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.52 -1.362 . . . . 0.0 111.85 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.317 21.2 p90 -63.93 -40.47 96.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.585 -1.947 . . . . 0.0 114.741 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -78.52 -9.52 59.36 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.983 -2.323 . . . . 0.0 115.154 173.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.8 m -72.11 -35.22 69.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 123.399 1.571 . . . . 0.0 110.261 171.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HA ' HG11 ' A' ' 38' ' ' VAL . 88.6 t -63.85 -58.81 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 118.797 -2.439 . . . . 0.0 112.938 171.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.2 p -56.96 -31.31 64.86 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.506 2.039 . . . . 0.0 116.506 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -55.91 -29.58 60.28 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.956 1.702 . . . . 0.0 114.168 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.9 t -88.31 -50.76 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 120.839 -1.163 . . . . 0.0 108.831 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.4 t -48.6 -58.32 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 127.993 2.517 . . . . 0.0 115.282 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.58 -4.93 49.99 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 66.07 73.02 0.39 Allowed 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.797 1.639 . . . . 0.0 113.757 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.51 -144.02 0.09 Allowed 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 121.221 -0.924 . . . . 0.0 111.846 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.5 p -118.79 166.4 12.84 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.062 -1.648 . . . . 0.0 111.231 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . 0.27 33.4 t-80 49.58 52.05 15.27 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.941 2.097 . . . . 0.0 114.409 -170.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -80.5 114.18 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 121.332 -0.855 . . . . 0.0 110.401 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.1 t -75.43 130.25 38.65 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.579 -1.326 . . . . 0.0 110.313 173.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.6 -36.16 82.91 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.293 1.437 . . . . 0.0 113.446 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -63.07 -52.84 61.15 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.572 -1.955 . . . . 0.0 111.414 174.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.0 m -68.73 -38.0 79.85 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -47.07 -48.79 22.45 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.924 -1.735 . . . . 0.0 115.023 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -71.43 -9.77 58.7 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -87.44 -41.01 13.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.053 1.341 . . . . 0.0 108.284 175.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 20' ' ' VAL . 16.1 t -71.22 -41.49 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 121.061 -1.024 . . . . 0.0 112.578 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -54.91 -37.56 66.5 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.389 1.076 . . . . 0.0 112.412 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.55 75.09 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 121.1 -1.0 . . . . 0.0 113.646 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -68.93 -41.87 77.53 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.765 -1.834 . . . . 0.0 114.036 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 30.7 mtt -54.99 -25.16 28.02 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 126.604 1.962 . . . . 0.0 115.43 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.5 -41.57 14.26 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 122.028 0.918 . . . . 0.0 112.099 -174.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -67.43 -59.88 3.03 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 124.127 1.918 . . . . 0.0 113.105 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.16 -20.75 44.15 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.816 -173.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 72.2 66.81 0.13 Allowed 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 128.372 2.669 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.68 132.57 21.7 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -102.89 102.45 27.32 Favored Pre-proline 0 N--CA 1.43 -1.469 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.59 112.47 1.97 Allowed 'Trans proline' 0 N--CA 1.434 -1.976 0 CA-C-N 122.795 2.034 . . . . 0.0 114.493 153.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -86.86 120.2 27.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.618 1.567 . . . . 0.0 108.39 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -80.75 -18.87 46.33 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.203 -1.561 . . . . 0.0 112.917 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.6 t -62.71 -45.88 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.629 1.571 . . . . 0.0 111.737 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.71 77.61 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 128.113 2.565 . . . . 0.0 113.214 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -63.51 -29.06 70.39 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 126.456 1.903 . . . . 0.0 114.075 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -83.96 -40.26 18.7 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.571 -1.33 . . . . 0.0 112.172 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 56' ' ' LEU . 9.8 tp -68.16 -41.33 81.68 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.737 -1.227 . . . . 0.0 113.642 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.58 89.78 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.327 1.451 . . . . 0.0 110.243 170.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.741 0 N-CA-C 121.649 3.42 . . . . 0.0 121.649 161.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo . . . . . 0 N--CA 1.435 -1.956 0 N-CA-C 110.761 -0.515 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 t -131.57 160.84 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.2 p -129.88 163.62 25.93 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.23 -1.544 . . . . 0.0 108.048 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.417 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.9 OUTLIER -51.67 -32.35 29.35 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 171.085 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' TYR . . . . . 0.417 ' H ' HD23 ' B' ' 6' ' ' LEU . 74.2 m-85 -68.54 -38.51 80.89 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.926 1.691 . . . . 0.0 112.074 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.91 -39.38 76.21 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.287 -1.508 . . . . 0.0 111.174 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 t -62.29 -45.35 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 126.472 1.909 . . . . 0.0 110.826 172.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.5 -54.66 43.16 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.107 1.763 . . . . 0.0 115.511 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -59.96 -37.97 81.13 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 125.053 1.341 . . . . 0.0 113.193 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -68.39 -48.6 64.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 119.36 0.982 . . . . 0.0 112.767 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -75.28 -22.94 57.4 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.355 -2.09 . . . . 0.0 112.217 -175.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.69 41.19 6.49 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 120.459 -1.401 . . . . 0.0 111.888 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.01 -174.07 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 125.107 1.363 . . . . 0.0 109.638 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 84.8 p -90.73 165.26 13.77 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 122.637 1.208 . . . . 0.0 111.331 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . 0.26 17.7 p90 -66.13 -39.28 89.76 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.105 -2.247 . . . . 0.0 114.172 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -74.42 -17.8 60.74 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.978 -1.701 . . . . 0.0 114.585 172.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 55.3 m -67.87 -34.31 76.43 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.791 -1.818 . . . . 0.0 110.777 173.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.434 ' HA ' HG11 ' B' ' 38' ' ' VAL . 72.8 t -63.85 -59.98 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 O-C-N 120.836 -1.165 . . . . 0.0 112.389 170.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -57.61 -32.62 67.39 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -51.75 -31.27 25.98 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.856 1.662 . . . . 0.0 115.016 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.89 -50.16 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.204 -1.56 . . . . 0.0 109.668 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 20' ' ' VAL . 48.9 t -48.5 -58.74 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 127.915 2.486 . . . . 0.0 114.862 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -94.83 -6.66 42.32 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 121.028 -1.045 . . . . 0.0 112.884 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 67.0 83.06 0.17 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.53 1.532 . . . . 0.0 113.569 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.61 -156.97 0.51 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.933 -1.104 . . . . 0.0 110.764 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.1 p -100.83 168.94 9.33 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.727 -1.233 . . . . 0.0 111.231 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . 0.314 16.0 t-80 47.68 48.96 16.91 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.744 2.418 . . . . 0.0 115.712 -174.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -75.63 118.78 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 O-C-N 120.709 -1.245 . . . . 0.0 110.873 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.0 t -81.99 129.63 34.84 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.624 -1.922 . . . . 0.0 109.648 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.36 99.59 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.465 1.506 . . . . 0.0 114.398 -176.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -61.22 -49.76 75.82 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.678 1.991 . . . . 0.0 112.924 173.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 21.7 m -64.7 -41.49 95.99 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.943 -1.723 . . . . 0.0 113.975 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -47.25 -50.58 20.93 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.674 -1.891 . . . . 0.0 114.474 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.15 -13.73 62.23 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -85.69 -41.96 14.69 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.719 -1.238 . . . . 0.0 108.733 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' B' ' 20' ' ' VAL . 21.5 t -71.26 -43.15 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.39 0 O-C-N 121.483 -0.76 . . . . 0.0 111.992 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -52.52 -36.17 54.77 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.011 1.325 . . . . 0.0 112.673 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.92 73.1 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.14 -42.5 93.77 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.536 -1.977 . . . . 0.0 114.538 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 33.4 mtt -53.57 -33.61 55.37 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 124.855 1.262 . . . . 0.0 113.621 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.5 37.69 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -173.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.74 -50.99 25.13 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.898 1.809 . . . . 0.0 112.526 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.04 -29.83 34.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.271 1.828 . . . . 0.0 112.476 -176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 75.05 64.61 0.07 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.531 2.332 . . . . 0.0 109.866 -176.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.99 132.35 37.5 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 116.247 1.943 . . . . 0.0 116.247 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 27.6 mm -100.32 103.2 21.76 Favored Pre-proline 0 N--CA 1.43 -1.437 0 C-N-CA 126.801 2.041 . . . . 0.0 106.567 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -63.86 114.14 2.47 Favored 'Trans proline' 0 C--N 1.299 -2.032 0 CA-C-N 123.424 2.259 . . . . 0.0 115.098 153.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -89.89 123.89 34.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.304 1.041 . . . . 0.0 109.47 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -80.88 -21.93 40.23 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.623 -1.923 . . . . 0.0 113.562 -176.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 t -59.38 -46.63 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 126.284 1.834 . . . . 0.0 111.388 172.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.86 70.26 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.916 2.487 . . . . 0.0 113.376 173.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -81.66 -22.78 37.32 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 118.901 -2.375 . . . . 0.0 111.323 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.85 -39.88 12.08 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.551 1.14 . . . . 0.0 113.126 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 56' ' ' LEU . 10.1 tp -68.16 -39.5 82.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.623 -1.923 . . . . 0.0 114.204 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.84 -40.72 75.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.499 1.52 . . . . 0.0 110.04 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.809 0 N-CA-C 121.464 3.346 . . . . 0.0 121.464 162.84 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 N--CA 1.434 -2.013 0 N-CA-C 110.727 -0.528 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.06 161.98 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p -122.35 165.36 16.4 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.817 -1.177 . . . . 0.0 110.056 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.4 -33.04 28.53 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.331 2.252 . . . . 0.0 115.525 170.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -72.46 -37.62 68.46 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.547 1.539 . . . . 0.0 112.186 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -72.15 -35.07 68.95 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.38 -1.45 . . . . 0.0 112.379 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 t -67.39 -44.48 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.817 2.447 . . . . 0.0 110.228 170.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -52.55 64.18 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.762 1.625 . . . . 0.0 114.57 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -60.32 -34.98 74.58 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.963 1.705 . . . . 0.0 114.303 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -70.42 -45.95 64.87 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.896 -1.753 . . . . 0.0 113.582 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.81 -24.94 52.77 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.229 -1.544 . . . . 0.0 111.639 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.13 38.09 4.68 Favored Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 125.558 1.551 . . . . 0.0 113.408 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.82 -177.96 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 124.3 1.04 . . . . 0.0 110.561 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.1 t -82.77 155.82 24.03 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 122.564 1.173 . . . . 0.0 110.921 169.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -66.84 -26.52 66.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.812 -1.805 . . . . 0.0 113.214 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -72.35 -35.16 68.46 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.443 -1.411 . . . . 0.0 111.318 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.4 m -61.28 -41.92 97.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.84 1.256 . . . . 0.0 111.641 173.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.78 -52.46 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 173.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -50.57 -44.27 56.66 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.648 1.979 . . . . 0.0 114.908 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 -62.19 -15.51 46.92 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.53 -53.6 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.219 -1.551 . . . . 0.0 110.092 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.2 t -48.21 -55.77 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 131.21 3.804 . . . . 0.0 114.769 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -88.85 6.42 39.19 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.64 -1.288 . . . . 0.0 113.695 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 58.31 74.92 0.41 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 127.725 2.41 . . . . 0.0 115.608 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.05 174.57 7.82 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 121.094 -1.004 . . . . 0.0 111.511 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -71.9 -49.15 40.38 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -75.58 75.46 2.6 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -174.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.629 HG13 ' HG3' ' A' ' 35' ' ' ARG . 39.4 t -122.12 110.61 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 126.292 1.837 . . . . 0.0 109.535 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.0 p -90.1 6.52 42.12 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.772 -1.205 . . . . 0.0 113.595 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.07 -43.53 0.56 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 174.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -40.55 -51.81 2.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 128.807 2.843 . . . . 0.0 114.485 -175.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.7 m -88.43 -37.64 15.67 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 113.827 -1.533 . . . . 0.0 111.503 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.629 ' HG3' HG13 ' A' ' 30' ' ' VAL . 10.2 mmt180 -64.42 -24.88 67.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.733 -1.854 . . . . 0.0 115.476 -173.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -56.71 -28.97 61.93 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 168.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -86.48 -33.62 20.3 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.845 1.258 . . . . 0.0 109.583 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.94 -43.14 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 124.876 1.27 . . . . 0.0 111.888 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.52 -25.57 68.31 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.406 1.082 . . . . 0.0 111.702 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.77 -32.44 40.96 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 123.89 0.876 . . . . 0.0 112.844 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -63.7 -46.05 87.24 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 119.335 -2.103 . . . . 0.0 113.528 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 ptp -64.94 -12.43 49.56 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.69 -1.256 . . . . 0.0 113.349 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.52 -42.25 10.94 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.825 -1.172 . . . . 0.0 112.891 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.65 -58.92 4.58 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-O 123.512 1.625 . . . . 0.0 112.278 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.92 -31.85 71.91 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.527 2.331 . . . . 0.0 113.74 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.256 1.0 OUTLIER 71.24 70.97 0.18 Allowed 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.679 2.392 . . . . 0.0 109.732 -176.854 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -59.58 139.29 57.29 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.905 1.682 . . . . 0.0 114.816 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -107.88 99.2 29.01 Favored Pre-proline 0 N--CA 1.431 -1.4 0 N-CA-C 104.004 -2.591 . . . . 0.0 104.004 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -62.13 116.13 3.28 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 CA-C-N 122.836 2.049 . . . . 0.0 116.23 155.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -84.92 123.44 30.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.271 1.428 . . . . 0.0 109.818 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.18 -18.84 48.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.508 -2.62 . . . . 0.0 113.412 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.32 -40.64 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 119.275 -2.141 . . . . 0.0 110.241 174.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.53 69.78 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.825 2.45 . . . . 0.0 113.354 173.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -83.42 -23.98 32.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.011 -1.68 . . . . 0.0 113.093 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -84.5 -49.15 8.88 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 -175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 56' ' ' LEU . 8.1 tp -64.44 -43.76 93.26 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.325 -1.484 . . . . 0.0 112.243 -177.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.68 -44.66 57.85 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.224 3.01 . . . . 0.0 113.288 168.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.742 0 N-CA-C 117.055 1.582 . . . . 0.0 117.055 168.583 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo . . . . . 0 N--CA 1.435 -1.958 0 N-CA-C 108.556 -1.363 . . . . 0.0 108.556 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 t -126.53 170.32 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 28.1 p -129.59 163.04 26.86 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.8 -32.0 29.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.46 1.904 . . . . 0.0 115.367 170.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -71.31 -36.68 71.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.209 1.804 . . . . 0.0 112.413 175.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -75.71 -31.08 59.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.532 -1.355 . . . . 0.0 111.028 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 t -68.07 -47.04 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 126.807 2.043 . . . . 0.0 110.162 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.58 -52.75 62.69 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -58.43 -36.55 73.8 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.112 1.365 . . . . 0.0 114.274 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -70.08 -44.53 68.9 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.677 -1.264 . . . . 0.0 113.868 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -77.62 -18.83 56.39 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.197 -2.189 . . . . 0.0 112.998 -177.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.31 16.18 Favored Glycine 0 N--CA 1.429 -1.769 0 C-N-CA 125.948 1.737 . . . . 0.0 113.937 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.1 m -122.34 -174.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 125.344 1.457 . . . . 0.0 110.782 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.3 t -92.66 154.71 18.19 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.295 1.038 . . . . 0.0 110.056 171.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -59.4 -31.17 69.01 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 126.804 2.042 . . . . 0.0 114.413 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -69.89 -33.72 72.59 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 120.339 -1.475 . . . . 0.0 111.617 174.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -65.86 -42.84 89.88 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.532 1.533 . . . . 0.0 110.869 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.72 -51.87 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 125.465 1.506 . . . . 0.0 114.387 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.0 t -51.99 -40.87 61.63 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.861 1.664 . . . . 0.0 114.872 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -67.36 -8.28 31.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.41 -54.08 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 119.552 -1.968 . . . . 0.0 109.098 174.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.0 t -46.7 -55.06 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 130.289 3.436 . . . . 0.0 114.501 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -90.95 13.54 16.33 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.089 -2.257 . . . . 0.0 113.524 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 53.66 77.02 0.19 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.553 2.341 . . . . 0.0 114.45 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.83 179.0 7.12 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-O 122.67 1.224 . . . . 0.0 111.288 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -82.38 -45.39 14.92 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.214 -1.554 . . . . 0.0 112.665 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -74.55 71.42 1.85 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.656 HG13 ' HG3' ' B' ' 35' ' ' ARG . 25.2 t -117.68 108.86 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 125.864 1.665 . . . . 0.0 110.72 174.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.3 p -87.76 8.08 27.35 Favored 'General case' 0 N--CA 1.428 -1.537 0 O-C-N 120.434 -1.416 . . . . 0.0 114.456 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.87 -47.61 0.65 Allowed 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 119.734 3.235 . . . . 0.0 119.734 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -42.59 -53.04 4.59 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.768 2.427 . . . . 0.0 114.309 -173.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 12.4 m -87.27 -35.56 18.41 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.699 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.656 ' HG3' HG13 ' B' ' 30' ' ' VAL . 11.2 mmt180 -65.3 -27.88 68.93 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.385 -2.072 . . . . 0.0 114.495 -174.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -54.46 -28.28 43.41 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 169.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -89.08 -33.25 17.18 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.741 1.616 . . . . 0.0 109.958 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 44.6 t -64.43 -43.72 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 124.222 1.009 . . . . 0.0 111.903 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.05 -31.54 70.08 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.625 1.17 . . . . 0.0 111.909 175.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.92 67.85 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.895 -1.128 . . . . 0.0 112.307 172.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -62.09 -49.21 76.83 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.499 -2.001 . . . . 0.0 114.296 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 3.1 ptp -63.33 -16.36 60.16 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 124.439 1.096 . . . . 0.0 113.096 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.65 -44.6 11.72 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 124.353 1.061 . . . . 0.0 113.306 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.11 -56.52 16.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 123.438 1.59 . . . . 0.0 113.444 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.14 -27.58 63.66 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.79 2.036 . . . . 0.0 113.353 -177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.87 67.28 0.23 Allowed 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 128.488 2.715 . . . . 0.0 109.924 -176.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -57.07 137.31 55.94 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.799 2.039 . . . . 0.0 114.578 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -108.44 99.7 34.16 Favored Pre-proline 0 N--CA 1.429 -1.485 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -64.29 112.74 1.99 Allowed 'Trans proline' 0 C--N 1.3 -1.995 0 N-CA-C 116.678 1.761 . . . . 0.0 116.678 158.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -83.75 128.96 34.91 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.111 1.364 . . . . 0.0 112.146 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -83.23 -26.5 30.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.958 -1.714 . . . . 0.0 113.52 -173.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.81 -40.18 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 O-C-N 119.847 -1.783 . . . . 0.0 110.488 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.35 68.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 128.066 2.547 . . . . 0.0 113.226 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -86.49 -25.79 24.95 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.233 -1.542 . . . . 0.0 112.973 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.99 -46.78 12.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 tp -66.11 -40.05 90.43 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 120.05 1.296 . . . . 0.0 111.848 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.67 -39.38 73.68 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.115 2.966 . . . . 0.0 113.16 170.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.736 0 N-CA-C 118.854 2.301 . . . . 0.0 118.854 170.675 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 CA--C 1.49 -1.357 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -101.01 103.45 25.34 Favored Pre-proline 0 N--CA 1.429 -1.476 0 CA-C-O 115.362 -2.256 . . . . 0.0 106.778 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -58.56 152.47 55.12 Favored 'Trans proline' 0 N--CA 1.434 -2.021 0 CA-C-N 124.622 2.686 . . . . 0.0 118.454 156.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -128.85 166.52 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 129.471 3.109 . . . . 0.0 103.182 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.5 p -123.38 158.89 30.08 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.36 -1.463 . . . . 0.0 110.194 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -48.84 -32.73 9.27 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.249 1.82 . . . . 0.0 115.347 168.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -71.65 -40.67 69.53 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.734 1.614 . . . . 0.0 111.964 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -65.04 -42.93 93.88 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.55 1.54 . . . . 0.0 110.562 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.415 ' H ' HG23 ' A' ' 9' ' ' VAL . 7.1 t -63.45 -44.7 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.705 -1.872 . . . . 0.0 113.048 173.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.37 77.92 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.291 1.436 . . . . 0.0 114.058 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.49 -42.42 92.1 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 126.296 1.838 . . . . 0.0 112.959 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -64.82 -52.14 58.36 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.008 -1.682 . . . . 0.0 112.989 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -72.61 -17.17 61.71 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.611 -1.931 . . . . 0.0 113.134 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.16 34.86 16.43 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 126.308 1.909 . . . . 0.0 113.151 177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.98 -170.0 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.798 1.639 . . . . 0.0 111.489 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 t -93.89 163.01 13.68 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.388 -1.445 . . . . 0.0 108.77 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -72.68 -24.87 61.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.329 -2.107 . . . . 0.0 112.557 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -78.17 -24.76 47.11 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 121.023 -1.048 . . . . 0.0 110.973 172.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -65.58 -43.49 89.58 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.435 -1.416 . . . . 0.0 110.087 172.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.449 ' HA ' HG11 ' A' ' 38' ' ' VAL . 71.5 t -59.18 -59.2 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.562 1.545 . . . . 0.0 113.828 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.6 p -59.33 -21.4 59.72 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.471 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -59.41 -38.14 79.81 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.292 -1.505 . . . . 0.0 113.703 168.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.9 -44.76 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.799 -1.188 . . . . 0.0 110.386 -174.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 t -65.0 -62.07 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.891 2.476 . . . . 0.0 114.082 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -104.58 21.15 17.3 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.622 1.969 . . . . 0.0 115.913 -174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 60.01 58.83 2.59 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 118.465 2.765 . . . . 0.0 118.465 169.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -90.4 -171.39 3.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.647 -1.283 . . . . 0.0 110.846 174.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 m -108.34 -64.93 1.17 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -84.71 74.95 10.37 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -164.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -126.29 -100.22 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 124.714 1.206 . . . . 0.0 107.864 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 81.2 p 178.59 170.49 0.82 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.978 2.511 . . . . 0.0 107.607 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.78 -27.03 23.83 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.967 -1.083 . . . . 0.0 110.594 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -58.53 -58.7 7.37 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.326 2.25 . . . . 0.0 113.101 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -72.54 -29.25 63.41 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.743 1.217 . . . . 0.0 113.291 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -43.65 -54.48 4.99 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.23 -17.55 64.59 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.962 2.105 . . . . 0.0 116.508 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -81.61 -36.35 29.02 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.088 -1.632 . . . . 0.0 108.393 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.449 HG11 ' HA ' ' A' ' 20' ' ' VAL . 19.3 t -65.3 -40.98 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 111.27 171.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.24 -30.0 64.26 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.88 -34.5 73.64 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.331 1.452 . . . . 0.0 113.139 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -70.7 -42.83 70.12 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.5 mtt -50.77 -35.13 30.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.58 -29.87 52.26 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -78.78 -65.95 0.92 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.772 1.229 . . . . 0.0 112.981 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -21.64 59.61 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.201 1.4 . . . . 0.0 113.027 -173.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.96 71.16 0.11 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.936 2.894 . . . . 0.0 110.511 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -64.23 111.04 2.42 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.78 106.47 58.81 Favored Pre-proline 0 N--CA 1.43 -1.432 1 N-CA-C 99.632 -4.21 . . . . 0.0 99.632 168.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -66.97 162.3 38.66 Favored 'Trans proline' 0 N--CA 1.434 -2.016 0 C-N-CA 122.859 2.373 . . . . 0.0 117.316 156.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.6 125.05 35.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.491 1.516 . . . . 0.0 109.994 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -70.07 -23.21 63.04 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.786 -1.196 . . . . 0.0 111.639 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.19 -43.73 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 126.205 1.802 . . . . 0.0 112.462 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.61 92.75 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.523 2.329 . . . . 0.0 112.425 172.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -63.59 -26.2 68.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.436 1.894 . . . . 0.0 113.741 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -88.56 -46.87 8.73 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.047 -1.658 . . . . 0.0 112.702 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' LEU . 11.6 tp -63.6 -45.94 88.07 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.469 -1.395 . . . . 0.0 114.712 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.58 36.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.55 45.18 0.1 Allowed Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 127.322 2.391 . . . . 0.0 117.822 -175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt 53.94 138.9 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 129.505 3.122 . . . . 0.0 118.531 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -69.67 158.48 35.27 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.06 -2.9 . . . . 0.0 113.033 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 t -83.41 136.5 34.3 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.23 -2.169 . . . . 0.0 110.982 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 C--O 1.26 1.636 0 C-N-CA 124.758 1.223 . . . . 0.0 112.709 -176.094 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 CA--C 1.49 -1.342 0 CA-C-O 119.243 -0.408 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -112.53 105.02 56.2 Favored Pre-proline 0 N--CA 1.43 -1.458 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -59.54 151.96 65.5 Favored 'Trans proline' 0 N--CA 1.433 -2.039 0 CA-C-N 124.247 2.553 . . . . 0.0 118.477 156.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 24.7 t -128.38 166.06 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 103.087 -2.931 . . . . 0.0 103.087 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.7 p -125.15 161.12 27.54 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.618 -1.926 . . . . 0.0 109.925 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -49.07 -31.55 8.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 127.022 2.129 . . . . 0.0 116.096 169.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -75.85 -32.09 59.61 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.218 1.807 . . . . 0.0 112.394 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -72.05 -40.65 68.2 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.769 2.028 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 t -66.14 -45.08 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.944 2.098 . . . . 0.0 112.625 172.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.94 79.58 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.172 1.389 . . . . 0.0 114.555 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.04 -41.32 78.42 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.464 1.906 . . . . 0.0 114.195 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.7 -47.57 66.09 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.243 -1.535 . . . . 0.0 113.45 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -75.36 -18.92 59.85 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.304 -1.497 . . . . 0.0 113.473 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.32 32.39 19.94 Favored Glycine 0 N--CA 1.43 -1.704 0 O-C-N 120.327 -1.483 . . . . 0.0 112.875 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -123.57 -174.51 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.992 1.317 . . . . 0.0 111.697 -176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.4 t -90.78 164.18 14.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.514 -1.366 . . . . 0.0 109.967 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -74.12 -23.4 59.3 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.595 -2.565 . . . . 0.0 113.371 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -78.71 -21.68 47.74 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.139 0.976 . . . . 0.0 111.559 172.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -67.82 -46.88 70.61 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.798 -1.189 . . . . 0.0 110.403 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.478 ' HA ' HG11 ' B' ' 38' ' ' VAL . 69.9 t -56.13 -58.5 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 126.156 1.782 . . . . 0.0 113.707 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 81.1 p -62.27 -19.4 63.19 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.514 ' HA ' ' HB3' ' B' ' 27' ' ' ALA . 0.0 OUTLIER -62.1 -36.71 82.54 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.338 -0.851 . . . . 0.0 112.943 167.5 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.25 -47.24 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 123.282 1.515 . . . . 0.0 109.981 -174.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.25 -65.54 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 128.717 2.807 . . . . 0.0 114.241 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -104.32 25.85 9.62 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -173.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 55.48 66.12 1.3 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 170.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' B' ' 22' ' ' ARG . . . -98.14 -172.8 2.43 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.71 -1.244 . . . . 0.0 110.825 175.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.3 m -102.17 -73.37 0.66 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -80.07 79.53 6.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.065 2.987 . . . . 0.0 119.065 -162.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.21 -96.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 96.0 p 175.27 167.8 0.32 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 127.27 2.228 . . . . 0.0 107.053 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.73 -26.89 27.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.483 -1.385 . . . . 0.0 111.049 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.423 ' H ' ' HG3' ' B' ' 33' ' ' LYS . 1.4 mtpm? -57.65 -60.58 3.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.191 2.596 . . . . 0.0 112.616 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 24.5 m -72.05 -28.92 63.66 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.679 -1.263 . . . . 0.0 114.169 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 42.1 ttp85 -44.02 -53.53 6.21 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.532 1.933 . . . . 0.0 115.134 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.52 -19.1 64.5 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.1 -35.24 25.79 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.024 -1.673 . . . . 0.0 108.953 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.478 HG11 ' HA ' ' B' ' 20' ' ' VAL . 14.1 t -65.86 -40.06 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.493 -1.379 . . . . 0.0 112.555 170.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -57.81 -26.97 62.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.2 -40.15 68.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.661 1.184 . . . . 0.0 111.967 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.5 -44.85 85.76 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.328 -2.107 . . . . 0.0 114.61 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 44.9 mtt -51.11 -29.95 14.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.019 2.127 . . . . 0.0 116.104 171.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.09 -37.73 23.43 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.459 1.504 . . . . 0.0 112.698 -173.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.2 -63.44 1.11 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.479 1.133 . . . . 0.0 112.943 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -22.35 50.21 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.299 1.047 . . . . 0.0 112.531 -173.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASN . . . . . 0.413 ' O ' HD12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 72.56 71.21 0.14 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.501 1.921 . . . . 0.0 109.773 179.365 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.46 115.03 4.26 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.413 HD12 ' O ' ' B' ' 46' ' ' ASN . 3.9 mp -108.56 108.05 60.62 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 100.757 -3.794 . . . . 0.0 100.757 167.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -68.38 158.65 56.68 Favored 'Trans proline' 0 C--N 1.3 -2.008 0 C-N-CA 123.287 2.658 . . . . 0.0 117.666 156.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -89.12 120.72 30.76 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 113.512 -1.676 . . . . 0.0 108.301 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -66.64 -24.7 66.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.602 -1.311 . . . . 0.0 112.267 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.54 -45.47 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.725 1.61 . . . . 0.0 112.045 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.13 80.04 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.477 2.311 . . . . 0.0 112.712 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -69.83 -23.89 63.37 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.704 -1.873 . . . . 0.0 113.265 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -91.6 -43.04 9.87 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.872 -2.393 . . . . 0.0 114.003 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 56' ' ' LEU . 12.1 tp -62.1 -52.11 65.2 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.411 -1.431 . . . . 0.0 113.048 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.87 -17.25 51.27 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.88 36.23 0.07 OUTLIER Glycine 0 N--CA 1.43 -1.73 0 C-N-CA 127.899 2.666 . . . . 0.0 118.762 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt 58.63 143.32 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.53 3.132 . . . . 0.0 117.313 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -75.38 157.38 34.3 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.356 -2.09 . . . . 0.0 111.237 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.6 t -79.94 132.16 35.99 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.236 -1.54 . . . . 0.0 112.819 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 C--O 1.26 1.624 0 C-N-CA 126.0 1.72 . . . . 0.0 111.919 -177.587 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O4'-C1'-C2' 102.598 -3.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.914 0 O4'-C1'-C2' 102.751 -3.044 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.958 0 O5'-C5'-C4' 114.111 2.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.899 1 O5'-C5'-C4' 116.092 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 1 P-O3'-C3' 126.804 5.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.874 0 O5'-C5'-C4' 114.128 2.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.873 0 OP1-P-OP2 114.945 -3.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.851 1 O5'-C5'-C4' 115.865 4.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.901 2 O4'-C1'-C2' 100.898 -4.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O5'-C5'-C4' 114.607 3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . 0.504 ' C5 ' ' C6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.917 0 O4'-C1'-N19 106.045 -2.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.505 H2'' ' C6 ' ' C' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . 0.505 ' C6 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.89 3 O4'-C1'-N19 113.339 6.924 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 OP1-P-OP2 114.126 -3.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.851 0 O5'-C5'-C4' 114.887 3.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.944 0 OP1-P-OP2 115.718 -2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 O5'-C5'-C4' 114.463 3.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 P-O5'-C5' 115.776 -3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 OP1-P-OP2 114.676 -3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.906 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 0 O4'-C1'-N19 109.712 2.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.857 0 C4'-C3'-C2' 99.275 -3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 0 C3'-C2'-C1' 97.813 -3.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 0 O5'-C5'-C4' 114.221 2.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.939 0 O5'-C5'-C4' 114.4 3.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.849 1 P-O5'-C5' 113.986 -4.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 OP1-P-OP2 114.143 -3.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.817 0 OP1-P-OP2 116.126 -2.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.888 0 OP1-P-OP2 115.266 -2.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 OP1-P-OP2 115.845 -2.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.912 2 O4'-C1'-N19 111.929 5.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 OP1-P-OP2 114.862 -3.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.912 0 C3'-C2'-C1' 106.25 2.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.425 H2'' ' C6 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.905 0 O4'-C1'-N19 110.211 3.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.425 ' C6 ' H2'' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.904 2 O4'-C1'-N19 112.74 6.175 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.974 0 C5'-C4'-C3' 110.804 -2.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.881 1 O5'-C5'-C4' 116.9 4.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.947 0 OP1-P-OP2 114.723 -3.252 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.968 0 O5'-C5'-C4' 113.544 2.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.916 0 O4'-C1'-C2' 102.292 -3.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 O4'-C1'-C2' 103.214 -2.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O4'-C1'-N19 110.566 3.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.902 0 OP1-P-OP2 115.244 -2.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.881 0 C4'-C3'-C2' 99.598 -3.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 CA--C 1.49 -1.36 0 N-CA-C 116.917 2.191 . . . . 0.0 116.917 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -80.58 158.0 71.67 Favored Pre-proline 0 N--CA 1.431 -1.419 0 O-C-N 120.125 -1.609 . . . . 0.0 111.498 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -37.18 146.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.299 -2.039 0 N-CA-C 120.864 3.371 . . . . 0.0 120.864 156.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.2 t -128.52 167.31 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.9 p -137.27 162.78 32.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.826 -1.796 . . . . 0.0 107.572 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.74 -30.03 42.4 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 171.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -69.09 -39.27 79.11 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 127.392 2.277 . . . . 0.0 112.873 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -69.56 -38.37 77.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.986 1.314 . . . . 0.0 110.89 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.03 -45.31 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.538 2.335 . . . . 0.0 111.198 172.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.55 -55.04 39.92 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.936 1.694 . . . . 0.0 114.368 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.38 -36.97 76.77 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.664 1.586 . . . . 0.0 114.031 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -66.49 -49.78 65.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.123 0.969 . . . . 0.0 112.531 173.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -74.05 -27.1 60.76 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.987 -1.696 . . . . 0.0 113.008 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.39 29.05 6.48 Favored Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 125.934 1.73 . . . . 0.0 114.124 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.07 -170.53 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 125.134 1.374 . . . . 0.0 111.467 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 t -92.89 160.51 14.88 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.793 1.282 . . . . 0.0 108.737 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -66.21 -32.66 74.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.493 -2.005 . . . . 0.0 113.104 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -76.5 -18.23 58.85 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 121.087 -1.008 . . . . 0.0 112.298 173.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.2 m -67.73 -45.58 74.59 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.369 -1.457 . . . . 0.0 110.369 173.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 24' ' ' VAL . 94.3 t -55.27 -58.16 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 C-N-CA 125.666 1.586 . . . . 0.0 115.25 178.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.8 p -58.14 -31.22 66.99 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.7 -17.08 64.45 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -90.56 -55.77 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.854 -1.778 . . . . 0.0 108.113 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 20' ' ' VAL . 60.6 t -49.63 -50.93 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 129.368 3.067 . . . . 0.0 114.831 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -98.84 12.19 36.48 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.859 1.264 . . . . 0.0 112.44 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 56.09 74.7 0.37 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 127.162 2.185 . . . . 0.0 116.318 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.92 175.27 5.67 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.723 1.209 . . . . 0.0 110.574 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 m -72.09 -77.38 0.1 Allowed 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -73.81 63.05 0.86 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 119.212 3.042 . . . . 0.0 119.212 -168.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 t -131.39 110.63 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.677 -1.265 . . . . 0.0 107.594 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -63.06 145.43 55.46 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.026 1.33 . . . . 0.0 113.07 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.84 -42.8 37.52 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 126.438 1.895 . . . . 0.0 115.995 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -54.83 -36.9 65.49 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.457 1.903 . . . . 0.0 113.979 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 m -75.69 -49.67 17.64 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.474 -1.391 . . . . 0.0 110.788 175.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -53.71 -44.63 69.97 Favored 'General case' 0 CA--C 1.489 -1.381 0 O-C-N 120.799 -1.188 . . . . 0.0 113.743 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -58.13 -22.29 50.31 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -92.1 -39.16 11.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.033 1.333 . . . . 0.0 109.162 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 t -67.93 -41.26 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 119.731 -1.856 . . . . 0.0 113.002 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -65.54 -17.71 64.77 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.62 -1.3 . . . . 0.0 114.085 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.82 -34.37 45.34 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 124.592 1.157 . . . . 0.0 110.7 170.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -67.43 -45.05 77.2 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.06 -1.65 . . . . 0.0 113.69 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.4 mtt -53.55 -30.64 42.9 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.188 1.395 . . . . 0.0 113.961 168.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.37 -28.67 26.82 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -78.28 -55.87 4.91 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 124.417 2.056 . . . . 0.0 110.031 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -79.17 -12.99 59.99 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 113.456 -1.702 . . . . 0.0 114.972 -174.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.417 0.6 OUTLIER 56.45 47.81 18.1 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.444 2.697 . . . . 0.0 114.869 -177.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -37.16 114.52 0.33 Allowed 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.432 2.293 . . . . 0.0 116.395 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.75 106.95 30.76 Favored Pre-proline 0 N--CA 1.43 -1.453 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -46.65 132.51 16.58 Favored 'Trans proline' 0 N--CA 1.434 -2.012 0 N-CA-C 120.201 3.116 . . . . 0.0 120.201 157.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -88.05 103.24 15.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -72.45 -13.07 61.35 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.449 -2.032 . . . . 0.0 114.68 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 t -75.66 -42.15 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.883 2.073 . . . . 0.0 110.332 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.35 -30.79 71.43 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.216 2.206 . . . . 0.0 112.942 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -79.6 -16.31 56.09 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.117 -1.614 . . . . 0.0 112.997 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -89.79 -51.17 5.64 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.612 -1.305 . . . . 0.0 111.606 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tp -61.31 -55.0 36.75 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 124.909 1.284 . . . . 0.0 113.788 -175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.83 -5.73 45.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.41 51.05 0.04 OUTLIER Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 128.288 2.852 . . . . 0.0 119.738 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -72.09 165.45 24.3 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.994 1.718 . . . . 0.0 114.227 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -102.02 119.8 39.38 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.353 -1.467 . . . . 0.0 113.347 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 p -90.86 -72.21 0.59 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.541 -1.35 . . . . 0.0 109.298 172.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 C--O 1.26 1.648 0 C-N-CA 125.949 1.7 . . . . 0.0 109.993 177.656 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 CA--C 1.491 -1.314 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.25 174.8 5.06 Favored Pre-proline 0 N--CA 1.43 -1.455 0 O-C-N 119.664 -1.897 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -56.31 161.56 9.05 Favored 'Trans proline' 0 N--CA 1.434 -2.006 0 C-N-CA 123.549 2.832 . . . . 0.0 117.477 156.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 t -137.0 165.97 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 103.055 -2.943 . . . . 0.0 103.055 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 48.5 p -136.78 163.65 30.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.148 -1.595 . . . . 0.0 107.513 174.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.98 -28.24 50.16 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 170.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -69.13 -37.61 78.41 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 126.979 2.112 . . . . 0.0 113.427 174.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -70.13 -42.28 72.81 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.141 1.776 . . . . 0.0 110.019 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.04 -47.27 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.032 2.133 . . . . 0.0 110.529 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -54.29 44.16 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.576 1.55 . . . . 0.0 114.119 175.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.9 -35.41 79.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -63.8 -50.55 68.5 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.813 0.845 . . . . 0.0 112.969 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -76.48 -29.88 57.05 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 121.314 -0.866 . . . . 0.0 112.473 -174.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.8 43.41 2.66 Favored Glycine 0 N--CA 1.43 -1.735 0 C-N-CA 124.892 1.234 . . . . 0.0 112.521 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.43 -164.4 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 125.463 1.505 . . . . 0.0 108.873 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -102.96 168.92 8.89 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.403 -1.435 . . . . 0.0 108.769 173.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -70.8 -34.61 71.94 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 118.982 -2.324 . . . . 0.0 112.481 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.39 -20.62 60.7 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 123.379 0.672 . . . . 0.0 112.271 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -66.31 -49.59 66.52 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.287 -1.508 . . . . 0.0 110.675 174.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.434 ' O ' HG23 ' B' ' 24' ' ' VAL . 96.1 t -52.27 -60.07 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.4 p -59.28 -29.57 67.68 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.13 -16.49 64.03 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.752 -1.217 . . . . 0.0 114.049 172.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -89.55 -56.35 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.989 -1.694 . . . . 0.0 108.263 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 20' ' ' VAL . 45.6 t -49.28 -53.52 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 129.159 2.984 . . . . 0.0 115.666 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -92.43 -1.68 56.83 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.237 -1.54 . . . . 0.0 111.899 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 67.24 76.69 0.28 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 127.616 2.366 . . . . 0.0 115.891 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.0 -175.62 3.2 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.352 1.461 . . . . 0.0 111.04 173.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.8 m -82.68 -72.93 0.42 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 -173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -76.77 65.28 2.48 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -168.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -134.61 109.88 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 170.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.0 t -63.0 142.75 58.26 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.808 1.243 . . . . 0.0 112.075 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.16 -44.88 8.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.852 2.461 . . . . 0.0 116.538 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -56.4 -36.6 69.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 126.979 2.112 . . . . 0.0 114.189 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.6 m -75.2 -49.56 19.04 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.653 -1.279 . . . . 0.0 110.325 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 -53.01 -44.89 67.61 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.484 -1.385 . . . . 0.0 113.824 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -57.09 -23.9 50.17 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -91.88 -36.89 13.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.86 1.264 . . . . 0.0 109.229 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.18 -44.13 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 O-C-N 120.588 -1.32 . . . . 0.0 111.648 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.31 -26.48 68.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 112.28 176.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.42 -32.7 66.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.344 -1.473 . . . . 0.0 112.09 170.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -69.99 -40.81 75.1 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.441 -1.412 . . . . 0.0 114.067 177.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 32.0 mtt -55.09 -35.27 64.4 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.18 1.392 . . . . 0.0 113.361 168.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.12 -29.38 38.93 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -171.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -78.82 -52.39 8.41 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-O 124.308 2.004 . . . . 0.0 111.022 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -80.57 -19.0 46.61 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 113.579 -1.646 . . . . 0.0 113.903 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.519 0.5 OUTLIER 61.02 57.91 2.42 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.255 2.222 . . . . 0.0 113.394 -175.251 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -48.31 115.24 1.14 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.088 2.155 . . . . 0.0 116.078 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mp -93.88 114.4 63.01 Favored Pre-proline 0 N--CA 1.43 -1.437 0 N-CA-C 103.716 -2.698 . . . . 0.0 103.716 173.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -55.85 132.96 55.16 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 C-N-CA 123.542 2.828 . . . . 0.0 116.607 154.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -91.0 105.11 17.6 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 170.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -71.95 -18.6 62.0 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.357 -2.089 . . . . 0.0 114.118 -172.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 19.4 t -68.66 -40.39 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 126.503 1.921 . . . . 0.0 111.245 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.19 77.83 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.153 2.181 . . . . 0.0 113.165 172.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.01 -20.62 60.27 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.854 -1.779 . . . . 0.0 113.032 174.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -86.04 -54.36 4.53 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.62 -1.3 . . . . 0.0 111.95 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 56' ' ' LEU . 10.1 tp -58.65 -49.57 77.04 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -175.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.72 59.79 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.04 51.14 0.06 OUTLIER Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 128.153 2.787 . . . . 0.0 118.881 -170.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -72.61 164.28 26.72 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 125.945 1.698 . . . . 0.0 114.453 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -96.86 122.46 39.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.561 -1.337 . . . . 0.0 113.883 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 15.5 p -95.79 -74.85 0.54 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 20.0 tp . . . . . 0 C--O 1.26 1.65 0 C-N-CA 124.799 1.24 . . . . 0.0 108.704 175.007 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.019 0 O4'-C1'-C2' 102.236 -3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.808 0 O5'-C5'-C4' 115.048 3.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.82 0 O5'-C5'-C4' 113.974 2.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.875 0 O4'-C1'-C2' 102.02 -3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.95 0 OP1-P-OP2 115.792 -2.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 OP1-P-OP2 114.943 -3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.933 0 O5'-C5'-C4' 113.303 2.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.955 0 O5'-C5'-C4' 114.939 3.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.873 0 OP1-P-OP2 114.587 -3.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.849 0 O4'-C1'-C2' 102.195 -3.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.945 0 O5'-C5'-C4' 113.726 2.519 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.422 H2'' ' C6 ' ' C' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 1.956 0 OP1-P-OP2 114.837 -3.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . 0.422 ' C6 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.892 3 O5'-C5'-C4' 116.266 4.333 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.87 0 O4'-C1'-N19 109.804 2.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.836 0 O5'-C5'-C4' 114.751 3.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.944 0 C3'-C2'-C1' 99.294 -2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O5'-C5'-C4' 114.396 2.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 O4'-C1'-C2' 102.077 -3.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.948 0 O4'-C1'-C2' 103.173 -2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.966 0 OP1-P-OP2 115.227 -2.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.912 0 O5'-C5'-C4' 115.55 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.845 0 OP1-P-OP2 115.154 -2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 C3'-C2'-C1' 98.295 -3.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.964 1 O4'-C1'-C2' 101.204 -4.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.845 0 O5'-C5'-C4' 114.43 3.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 O4'-C1'-C2' 102.141 -3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.976 0 OP1-P-OP2 115.589 -2.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.903 0 P-O3'-C3' 123.252 2.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.03 0 O5'-C5'-C4' 114.814 3.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.902 0 O4'-C1'-C2' 102.074 -3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.0 0 P-O3'-C3' 122.98 2.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 P-O5'-C5' 116.688 -2.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.832 0 O5'-C5'-C4' 113.766 2.547 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.816 0 O4'-C1'-C2' 102.833 -2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 2 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.781 0 OP1-P-OP2 116.136 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.016 0 O5'-C5'-C4' 115.2 3.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.866 0 C3'-C2'-C1' 98.913 -2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.822 0 C5'-C4'-C3' 111.137 -2.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.958 1 O4'-C1'-C2' 101.441 -4.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.92 0 O4'-C1'-C2' 102.882 -2.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 0 O5'-C5'-C4' 115.332 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.881 0 O5'-C5'-C4' 114.586 3.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O5'-C5'-C4' 114.33 2.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 CA--C 1.49 -1.349 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.32 141.47 73.73 Favored Pre-proline 0 N--CA 1.43 -1.457 0 O-C-N 119.62 -1.925 . . . . 0.0 109.088 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.21 162.43 33.17 Favored 'Trans proline' 0 N--CA 1.434 -2.011 0 N-CA-C 118.405 2.425 . . . . 0.0 118.405 154.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.6 t -137.33 165.87 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 N-CA-C 101.311 -3.589 . . . . 0.0 101.311 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.8 p -130.2 161.87 30.18 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 119.724 1.147 . . . . 0.0 108.833 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 7' ' ' TYR . 1.1 pt? -48.57 -35.6 13.78 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.395 1.878 . . . . 0.0 115.12 171.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.421 ' H ' HD23 ' A' ' 6' ' ' LEU . 72.9 m-85 -67.58 -39.75 84.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.325 2.25 . . . . 0.0 112.755 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -70.85 -38.14 73.16 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.699 -1.25 . . . . 0.0 111.712 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.16 -45.61 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 C-N-CA 126.468 1.907 . . . . 0.0 110.825 172.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -55.31 35.1 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.633 1.573 . . . . 0.0 114.82 174.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.98 -28.9 69.83 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -69.45 -51.27 37.78 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.09 -1.006 . . . . 0.0 112.076 172.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -73.71 -18.91 60.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.319 -1.488 . . . . 0.0 113.142 -177.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.06 44.81 6.16 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 125.861 1.696 . . . . 0.0 111.754 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.61 178.44 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 125.191 1.396 . . . . 0.0 110.824 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.2 t -80.68 158.79 25.48 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.699 -1.251 . . . . 0.0 110.619 173.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -67.46 -31.34 71.44 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.936 -1.728 . . . . 0.0 113.985 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -77.28 -15.79 59.28 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.005 -1.684 . . . . 0.0 112.086 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.5 m -68.85 -41.53 78.34 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.441 -2.037 . . . . 0.0 110.002 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.81 -56.16 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.184 1.393 . . . . 0.0 113.91 174.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -61.42 -27.49 68.58 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -72.29 -11.51 60.74 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 125.617 1.567 . . . . 0.0 113.781 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -99.84 -49.19 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 119.415 -2.053 . . . . 0.0 109.696 170.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.98 -57.49 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 C-N-CA 127.869 2.468 . . . . 0.0 114.109 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -108.95 -58.5 2.01 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.767 -1.208 . . . . 0.0 112.632 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -93.96 60.21 2.84 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 122.793 1.282 . . . . 0.0 113.394 -172.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.14 90.29 0.87 Allowed 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 118.797 2.888 . . . . 0.0 118.797 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.0 p -162.4 145.51 11.42 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.932 1.293 . . . . 0.0 108.322 170.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 58.29 41.31 23.51 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.097 1.359 . . . . 0.0 113.025 -170.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.56 131.35 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 121.042 -1.036 . . . . 0.0 111.514 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -84.75 119.01 24.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.496 -1.378 . . . . 0.0 109.468 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.78 -38.91 83.16 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.281 1.832 . . . . 0.0 115.226 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -63.78 -51.33 65.28 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.959 1.704 . . . . 0.0 111.221 176.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -61.92 -45.79 92.15 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.106 2.162 . . . . 0.0 115.017 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -42.79 -54.51 4.08 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.12 -12.02 60.16 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -88.03 -40.67 13.66 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.824 -1.797 . . . . 0.0 108.946 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.1 t -75.49 -37.57 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.45 -1.406 . . . . 0.0 112.013 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -63.8 -23.21 67.27 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.135 -1.603 . . . . 0.0 112.72 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.96 62.47 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.689 -1.257 . . . . 0.0 112.456 171.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -67.19 -42.88 83.47 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.936 -1.727 . . . . 0.0 114.555 176.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.2 mtt -50.27 -33.45 19.87 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.992 2.117 . . . . 0.0 114.755 168.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.35 -39.09 59.7 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.68 -59.45 2.71 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -22.19 42.63 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.778 1.231 . . . . 0.0 113.569 -174.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 73.71 66.73 0.1 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.494 2.317 . . . . 0.0 112.03 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.66 126.3 26.1 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.8 mm -100.62 113.5 65.59 Favored Pre-proline 0 N--CA 1.43 -1.452 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -54.47 113.17 1.24 Allowed 'Trans proline' 0 N--CA 1.434 -2.007 0 CA-C-N 123.741 2.372 . . . . 0.0 114.569 149.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -84.62 125.7 32.7 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -76.97 -39.12 51.69 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.641 -1.912 . . . . 0.0 112.568 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.517 HG13 HG13 ' B' ' 52' ' ' VAL . 14.4 t -56.78 -43.53 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.963 2.505 . . . . 0.0 112.231 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.53 -28.59 68.54 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.472 2.709 . . . . 0.0 114.167 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -89.4 -17.37 28.93 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.63 -1.918 . . . . 0.0 110.67 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -88.16 -45.76 9.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 56' ' ' LEU . 10.2 tp -65.33 -42.37 93.02 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 121.263 1.847 . . . . 0.0 114.359 -176.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.05 -79.78 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.469 2.708 . . . . 0.0 108.422 169.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.57 7.24 0.03 OUTLIER Glycine 0 N--CA 1.431 -1.696 1 N-CA-C 124.167 4.427 . . . . 0.0 124.167 171.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.275 86.5 tttt 70.02 124.6 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 124.54 2.114 . . . . 0.0 114.857 -176.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -89.3 142.8 27.33 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.097 -1.627 . . . . 0.0 111.951 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.7 p -86.21 153.72 21.82 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-O 123.346 1.546 . . . . 0.0 112.666 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 C--O 1.26 1.639 0 C-N-CA 125.056 1.342 . . . . 0.0 107.509 179.169 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtm . . . . . 0 CA--C 1.49 -1.36 0 N-CA-C 116.431 2.012 . . . . 0.0 116.431 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.47 138.48 63.38 Favored Pre-proline 0 N--CA 1.43 -1.451 0 O-C-N 118.944 -2.348 . . . . 0.0 109.432 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -63.71 160.07 38.34 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 N-CA-C 118.638 2.515 . . . . 0.0 118.638 155.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 29.9 t -137.96 163.01 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 N-CA-C 101.999 -3.334 . . . . 0.0 101.999 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.9 p -127.68 162.7 25.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 120.448 1.476 . . . . 0.0 108.936 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.409 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.9 OUTLIER -51.47 -33.52 31.56 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.065 1.746 . . . . 0.0 115.25 172.496 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.409 ' H ' HD23 ' B' ' 6' ' ' LEU . 71.0 m-85 -68.74 -39.38 80.38 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 127.119 2.168 . . . . 0.0 112.636 176.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.53 -38.17 77.41 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.575 1.55 . . . . 0.0 111.835 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.95 -42.73 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.195 2.198 . . . . 0.0 110.599 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.88 71.99 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.87 -33.56 76.12 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.085 -1.634 . . . . 0.0 114.479 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -67.44 -47.2 70.87 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.075 -2.266 . . . . 0.0 113.324 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -76.72 -19.74 57.34 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.44 -2.038 . . . . 0.0 113.061 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.28 35.23 7.61 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 125.464 1.507 . . . . 0.0 112.092 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m -125.09 179.95 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.262 1.425 . . . . 0.0 110.956 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -84.24 160.34 20.8 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.831 1.252 . . . . 0.0 110.316 173.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -70.02 -33.14 71.62 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.479 -2.013 . . . . 0.0 114.614 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -73.55 -19.02 61.01 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.645 -1.284 . . . . 0.0 112.208 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.2 m -66.32 -42.87 87.58 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.064 -1.647 . . . . 0.0 110.772 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.14 -54.65 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.255 1.422 . . . . 0.0 113.944 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 77.3 p -62.93 -24.8 68.03 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.277 1.954 . . . . 0.0 116.277 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -77.13 -6.24 52.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.861 1.265 . . . . 0.0 113.679 173.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 47.2 t -101.08 -49.86 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 119.609 -1.932 . . . . 0.0 108.332 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.6 -60.49 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 127.775 2.43 . . . . 0.0 113.971 -174.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -106.08 -59.34 1.79 Allowed 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 121.078 -1.013 . . . . 0.0 112.766 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -89.94 56.73 3.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.65 -1.281 . . . . 0.0 113.405 -172.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.74 87.05 0.34 Allowed 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 118.581 2.808 . . . . 0.0 118.581 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.0 p -159.85 144.7 15.07 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.305 1.442 . . . . 0.0 108.426 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' HIS . . . . . 0.401 ' CE1' " H3'" ' D' ' 3' ' ' ' DA' . 27.8 m-70 58.63 39.15 24.92 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.616 1.566 . . . . 0.0 112.578 -169.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -75.98 131.1 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 O-C-N 120.302 -1.499 . . . . 0.0 112.821 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 27.0 t -82.66 115.81 21.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.072 -1.643 . . . . 0.0 109.328 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -34.81 70.43 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 117.096 2.258 . . . . 0.0 117.096 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -68.68 -48.01 65.02 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.819 1.647 . . . . 0.0 111.6 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 11.8 m -65.08 -44.05 90.2 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.956 1.703 . . . . 0.0 114.145 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -42.24 -54.68 3.6 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.299 1.962 . . . . 0.0 116.299 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.46 -16.46 63.66 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -84.23 -43.3 15.02 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.84 1.305 . . . . 0.0 108.787 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 t -70.79 -40.5 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 120.63 -1.294 . . . . 0.0 112.619 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -65.15 -20.31 66.39 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 121.224 -0.923 . . . . 0.0 112.921 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.68 -30.22 59.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.528 -1.358 . . . . 0.0 112.91 170.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -70.48 -42.67 71.07 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.394 -2.066 . . . . 0.0 114.361 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 48.6 mtt -51.67 -32.72 30.75 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.402 1.881 . . . . 0.0 113.425 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.05 -37.66 46.29 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -73.41 -57.88 3.7 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 123.09 1.424 . . . . 0.0 112.262 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.91 -21.72 59.05 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.073 1.749 . . . . 0.0 115.708 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 69.44 66.27 0.26 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 127.042 2.137 . . . . 0.0 110.322 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -57.75 126.31 26.84 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.6 mm -99.99 113.61 65.28 Favored Pre-proline 0 N--CA 1.431 -1.406 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 174.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -53.07 111.57 0.7 Allowed 'Trans proline' 0 N--CA 1.434 -1.987 0 CA-C-N 124.417 2.613 . . . . 0.0 115.068 150.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -83.6 126.55 32.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.696 1.236 . . . . 0.0 107.728 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -78.2 -36.78 46.89 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.712 -1.242 . . . . 0.0 112.951 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 52' ' ' VAL . 24.9 t -61.17 -40.54 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 127.018 2.127 . . . . 0.0 111.773 177.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.53 -26.48 68.58 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.705 2.402 . . . . 0.0 115.317 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -90.31 -18.66 25.18 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 119.595 -1.941 . . . . 0.0 110.487 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -88.68 -43.94 10.95 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.137 -1.602 . . . . 0.0 115.012 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.53 -42.39 82.81 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.52 -1.987 . . . . 0.0 113.623 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.99 -73.78 0.14 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.039 2.136 . . . . 0.0 109.91 169.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 58.71 -28.41 0.02 OUTLIER Glycine 0 N--CA 1.431 -1.684 1 N-CA-C 124.488 4.555 . . . . 0.0 124.488 171.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt 95.08 127.39 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 131.227 3.811 . . . . 0.0 111.826 -169.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -90.15 138.06 31.83 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.953 1.301 . . . . 0.0 110.729 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -84.28 153.31 23.63 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.281 -1.512 . . . . 0.0 112.936 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.4 tp . . . . . 0 C--O 1.261 1.663 0 C-N-CA 125.38 1.472 . . . . 0.0 108.435 178.929 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.92 0 C3'-C2'-C1' 97.724 -3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.984 0 O4'-C1'-C2' 102.374 -3.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.859 0 P-O5'-C5' 117.33 -2.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.885 1 O5'-C5'-C4' 115.983 4.131 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 O5'-C5'-C4' 114.75 3.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.993 0 O5'-C5'-C4' 114.677 3.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 0 O5'-C5'-C4' 115.302 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.977 0 O5'-C5'-C4' 114.277 2.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.858 0 O5'-C5'-C4' 113.987 2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.017 0 O5'-C5'-C4' 114.515 3.082 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.848 0 OP1-P-OP2 114.885 -3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.979 0 O5'-C5'-C4' 115.215 3.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.873 2 O4'-C1'-N19 114.267 8.084 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.979 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.823 0 OP1-P-OP2 113.707 -3.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.886 0 OP1-P-OP2 115.54 -2.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.936 0 O5'-C5'-C4' 113.646 2.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 O4'-C1'-C2' 102.949 -2.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.854 0 O5'-C5'-C4' 115.296 3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.828 0 O4'-C1'-N19 109.772 2.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.965 0 O5'-C5'-C4' 114.864 3.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.884 0 OP1-P-OP2 115.465 -2.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.995 0 C3'-C2'-C1' 97.411 -3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.006 0 O4'-C1'-C2' 102.745 -3.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . 0.401 " H3'" ' CE1' ' B' ' 29' ' ' HIS . . . . . . . . 0 C3'--C2' 1.537 1.862 0 P-O5'-C5' 115.672 -3.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.016 0 O5'-C5'-C4' 115.506 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.813 0 O5'-C5'-C4' 115.781 3.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.035 0 O5'-C5'-C4' 115.747 3.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.814 0 OP1-P-OP2 115.065 -3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.904 0 OP1-P-OP2 113.886 -3.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.784 0 O4'-C1'-C2' 102.648 -3.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.908 0 O5'-C5'-C4' 113.985 2.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.921 0 OP1-P-OP2 114.318 -3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.929 0 O5'-C5'-C4' 114.58 3.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.932 1 O4'-C1'-N19 113.277 6.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.436 H2'' ' H6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 2.01 1 O4'-C1'-N19 111.196 4.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.436 ' H6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.536 1.836 0 OP1-P-OP2 115.399 -2.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.786 0 OP1-P-OP2 115.39 -2.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.026 0 OP1-P-OP2 115.337 -2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.774 0 O5'-C5'-C4' 114.979 3.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.85 0 O5'-C5'-C4' 115.671 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 OP1-P-OP2 115.88 -2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.035 0 OP1-P-OP2 114.565 -3.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.957 0 OP1-P-OP2 116.006 -2.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 CA--C 1.49 -1.351 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -146.68 91.87 5.2 Favored Pre-proline 0 N--CA 1.429 -1.498 0 O-C-N 119.877 -1.765 . . . . 0.0 106.321 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -57.82 146.24 86.9 Favored 'Trans proline' 0 N--CA 1.433 -2.034 0 CA-C-N 123.733 2.369 . . . . 0.0 116.298 153.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -120.08 169.75 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 127.595 2.358 . . . . 0.0 105.473 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 p -133.63 163.84 28.53 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 119.272 -2.142 . . . . 0.0 108.417 175.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.456 HD23 ' H ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -49.02 -34.57 13.57 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.314 1.845 . . . . 0.0 115.524 169.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.456 ' H ' HD23 ' A' ' 6' ' ' LEU . 82.8 m-85 -68.43 -38.24 81.01 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.211 1.804 . . . . 0.0 112.972 176.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -71.27 -38.09 71.86 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.392 -1.443 . . . . 0.0 110.66 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 t -65.86 -45.68 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.034 2.134 . . . . 0.0 110.709 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.42 -54.48 45.1 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.4 1.88 . . . . 0.0 114.583 175.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -63.56 -35.29 80.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.94 -44.75 79.83 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.713 -1.242 . . . . 0.0 113.137 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.74 -23.64 53.0 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.988 -1.695 . . . . 0.0 111.27 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.03 39.08 6.21 Favored Glycine 0 N--CA 1.431 -1.644 0 C-N-CA 127.776 2.607 . . . . 0.0 112.477 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.23 -178.07 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.094 1.358 . . . . 0.0 110.04 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 p -87.74 157.44 19.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.764 1.268 . . . . 0.0 110.804 172.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.271 13.9 p90 -59.6 -42.71 93.2 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 -175.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -75.9 -10.75 59.68 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.401 -2.062 . . . . 0.0 113.792 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.5 m -68.34 -36.34 79.12 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.863 -1.148 . . . . 0.0 109.939 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.01 -52.74 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 124.571 1.149 . . . . 0.0 113.63 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -57.61 -23.97 53.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 117.516 2.413 . . . . 0.0 117.516 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -16.88 61.57 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.929 -1.107 . . . . 0.0 112.956 173.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.3 t -93.65 -43.67 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-O 122.968 1.366 . . . . 0.0 109.416 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.2 -59.43 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.421 2.288 . . . . 0.0 114.37 -176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -110.94 -59.18 2.0 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.783 -1.198 . . . . 0.0 114.132 -174.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -97.88 63.9 1.69 Allowed 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.98 1.371 . . . . 0.0 112.312 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.16 108.94 3.33 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -163.59 -72.31 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.632 -1.293 . . . . 0.0 107.759 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -80.97 58.33 3.39 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.121 -1.612 . . . . 0.0 112.472 172.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -91.0 125.88 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -70.22 -3.7 18.23 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.24 -50.95 0.65 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -66.42 -55.14 17.17 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 128.353 2.661 . . . . 0.0 109.962 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -60.15 -33.39 72.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.106 1.762 . . . . 0.0 113.964 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -49.67 -46.79 50.18 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.968 1.707 . . . . 0.0 115.06 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.65 -22.13 61.47 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -88.27 -40.24 13.79 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.181 0.991 . . . . 0.0 109.14 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.4 t -70.46 -44.53 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 121.352 -0.842 . . . . 0.0 111.917 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -63.01 -27.11 69.19 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 121.258 -0.901 . . . . 0.0 112.687 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.68 62.64 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.544 1.138 . . . . 0.0 112.176 170.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -70.03 -43.52 71.12 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.917 -1.74 . . . . 0.0 113.691 177.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.2 mtt -57.42 -26.68 61.52 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 125.551 1.541 . . . . 0.0 113.949 169.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -41.05 23.16 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.5 1.12 . . . . 0.0 112.767 -174.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -72.7 -61.3 1.85 Allowed 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.351 1.548 . . . . 0.0 112.243 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.62 -19.91 62.05 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.822 1.649 . . . . 0.0 113.794 -175.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 66.65 63.12 0.51 Allowed 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.547 1.939 . . . . 0.0 109.937 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -55.0 116.73 2.92 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.91 103.96 22.53 Favored Pre-proline 0 N--CA 1.43 -1.47 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 170.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.04 156.93 64.16 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 N-CA-C 119.382 2.801 . . . . 0.0 119.382 158.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -101.18 131.0 47.37 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.605 2.362 . . . . 0.0 109.211 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -78.7 -35.52 44.86 Favored 'General case' 0 N--CA 1.428 -1.527 0 O-C-N 120.334 -1.478 . . . . 0.0 111.19 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 52' ' ' VAL . 3.6 t -56.01 -45.09 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 129.176 2.991 . . . . 0.0 114.754 178.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.42 97.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.643 1.977 . . . . 0.0 112.733 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -68.5 -24.46 64.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.164 1.785 . . . . 0.0 112.11 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -85.99 -49.57 7.73 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.658 -1.276 . . . . 0.0 112.281 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 56' ' ' LEU . 12.4 tp -63.43 -50.52 69.45 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 124.853 1.261 . . . . 0.0 114.04 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.24 -14.11 60.14 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 116.875 2.176 . . . . 0.0 116.875 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.97 50.45 0.71 Allowed Glycine 0 N--CA 1.43 -1.76 0 C-N-CA 126.318 1.914 . . . . 0.0 116.666 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -62.47 144.81 55.51 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.413 1.485 . . . . 0.0 114.374 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -136.24 168.1 20.05 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.418 -1.426 . . . . 0.0 110.678 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 t -83.92 162.13 20.59 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 123.806 0.842 . . . . 0.0 110.495 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.689 0 C-N-CA 124.879 1.272 . . . . 0.0 111.18 -174.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 CA--C 1.49 -1.342 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -152.19 93.07 3.43 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -60.25 150.46 79.76 Favored 'Trans proline' 0 N--CA 1.433 -2.071 0 CA-C-N 122.469 1.917 . . . . 0.0 116.243 154.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.33 162.54 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 104.745 -2.317 . . . . 0.0 104.745 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -126.84 162.2 26.46 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.047 -1.658 . . . . 0.0 108.564 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.402 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.8 OUTLIER -48.59 -33.83 10.48 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.305 1.842 . . . . 0.0 115.374 171.181 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.402 ' H ' HD23 ' B' ' 6' ' ' LEU . 89.2 m-85 -69.69 -38.53 77.02 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 126.319 1.848 . . . . 0.0 112.309 176.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -37.92 75.73 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.863 -1.148 . . . . 0.0 111.001 -177.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 t -65.98 -45.32 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 127.271 2.229 . . . . 0.0 110.312 171.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.67 -54.71 42.92 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.91 1.684 . . . . 0.0 115.473 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.8 -36.34 82.81 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.145 1.378 . . . . 0.0 114.647 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -65.14 -47.34 77.43 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.907 -1.121 . . . . 0.0 112.803 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -75.96 -27.43 57.51 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.708 -1.87 . . . . 0.0 111.636 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.25 38.17 4.37 Favored Glycine 0 N--CA 1.429 -1.774 0 C-N-CA 125.749 1.643 . . . . 0.0 113.224 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -125.11 -178.27 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.011 1.724 . . . . 0.0 111.661 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 p -86.39 157.02 19.95 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.237 1.415 . . . . 0.0 111.149 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . 0.265 16.8 p90 -59.37 -42.31 91.3 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -175.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.51 -12.33 60.21 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.493 -2.005 . . . . 0.0 114.236 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 44.4 m -67.13 -34.51 77.75 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.569 -1.332 . . . . 0.0 110.383 174.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.68 -54.51 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 125.372 1.469 . . . . 0.0 113.033 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m -56.62 -27.16 57.64 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -19.55 65.01 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 124.884 1.274 . . . . 0.0 113.64 173.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.27 -46.01 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-O 123.062 1.41 . . . . 0.0 109.511 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.92 -58.16 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 127.719 2.408 . . . . 0.0 113.832 -174.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -108.51 -66.01 1.08 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.566 -1.334 . . . . 0.0 111.878 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -94.47 64.46 3.09 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.52 -1.363 . . . . 0.0 113.347 -166.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.96 107.3 1.45 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -160.7 -77.07 0.06 Allowed 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.55 -1.344 . . . . 0.0 108.215 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -79.34 59.12 2.77 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.744 1.259 . . . . 0.0 112.817 171.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -90.07 128.14 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 172.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.1 t -72.5 -6.41 43.65 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -176.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.55 -49.75 0.69 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.805 2.042 . . . . 0.0 115.389 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.69 -53.47 40.56 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.011 2.525 . . . . 0.0 110.353 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -61.87 -34.84 76.73 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.029 1.732 . . . . 0.0 114.789 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -48.22 -46.13 34.86 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.46 -23.94 64.85 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -87.09 -37.22 17.61 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.128 1.371 . . . . 0.0 109.111 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.45 -45.61 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 121.045 -1.034 . . . . 0.0 111.415 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -62.71 -28.67 70.11 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 121.269 -0.894 . . . . 0.0 113.089 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.17 -31.6 66.07 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 123.784 0.834 . . . . 0.0 112.334 170.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -68.54 -44.03 75.42 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.289 -2.132 . . . . 0.0 112.765 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 34.5 mtt -55.28 -29.04 57.37 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.757 1.623 . . . . 0.0 114.809 168.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.07 -32.24 30.42 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 124.331 1.052 . . . . 0.0 113.604 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -79.47 -63.01 1.51 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.909 1.338 . . . . 0.0 114.176 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -16.73 59.27 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.307 -173.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.35 69.64 0.26 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 128.635 2.774 . . . . 0.0 109.664 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -58.12 113.19 1.8 Allowed 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.6 103.94 21.55 Favored Pre-proline 0 N--CA 1.429 -1.499 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -65.75 161.78 37.51 Favored 'Trans proline' 0 C--N 1.3 -2.022 0 N-CA-C 120.91 3.388 . . . . 0.0 120.91 158.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -105.12 132.69 51.03 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 126.709 2.004 . . . . 0.0 107.801 173.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -81.52 -33.49 31.8 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.272 -1.517 . . . . 0.0 110.746 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.459 ' H ' HG23 ' B' ' 52' ' ' VAL . 3.6 t -55.1 -43.96 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.772 2.829 . . . . 0.0 113.732 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.9 -27.75 68.42 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.897 2.079 . . . . 0.0 113.999 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -81.33 -23.18 37.97 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.3 -2.125 . . . . 0.0 110.32 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -85.9 -49.31 7.97 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.874 -1.766 . . . . 0.0 112.854 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.52 -52.29 65.11 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.35 -11.68 59.94 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.88 56.55 1.38 Allowed Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 125.618 1.58 . . . . 0.0 113.937 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -73.57 142.78 46.61 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 127.158 2.183 . . . . 0.0 112.698 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -133.99 179.11 6.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.985 -1.697 . . . . 0.0 113.094 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -91.12 158.38 16.67 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.529 1.132 . . . . 0.0 109.092 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.259 1.6 0 O-C-N 121.135 -0.978 . . . . 0.0 112.445 -173.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.85 0 C3'-C2'-C1' 98.919 -2.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.924 0 C3'-C2'-C1' 97.77 -3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.804 0 O5'-C5'-C4' 114.261 2.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 1 O5'-C5'-C4' 116.476 4.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.818 0 O5'-C5'-C4' 115.456 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.866 0 O5'-C5'-C4' 115.681 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.968 0 O5'-C5'-C4' 114.456 3.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.899 0 O5'-C5'-C4' 114.022 2.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.98 0 O4'-C1'-C2' 103.152 -2.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.94 0 O5'-C5'-C4' 113.62 2.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.824 0 O4'-C1'-N19 105.77 -2.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 O5'-C5'-C4' 113.648 2.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.945 2 O4'-C1'-N19 112.723 6.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.962 0 OP1-P-OP2 115.564 -2.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 OP1-P-OP2 115.002 -3.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.885 1 O4'-C1'-C2' 101.367 -4.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.934 0 O4'-C1'-C2' 104.004 -1.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.803 1 O4'-C1'-C2' 101.5 -4.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 P-O3'-C3' 124.089 3.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.837 0 O4'-C1'-N19 110.251 3.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 O4'-C1'-N19 110.667 3.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 OP1-P-OP2 115.461 -2.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.888 0 O5'-C5'-C4' 114.352 2.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.877 1 O4'-C1'-N19 111.146 4.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.85 0 O5'-C5'-C4' 115.272 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 P-O5'-C5' 115.0 -3.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.01 0 O5'-C5'-C4' 114.996 3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.911 0 O5'-C5'-C4' 115.58 3.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.829 0 O5'-C5'-C4' 113.779 2.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.888 0 OP1-P-OP2 115.334 -2.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.97 0 O4'-C1'-C2' 102.851 -2.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.981 0 O4'-C1'-N19 105.914 -2.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.93 0 OP1-P-OP2 115.401 -2.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.975 0 OP1-P-OP2 114.808 -3.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.886 1 O4'-C1'-N19 112.702 6.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.953 0 OP1-P-OP2 115.667 -2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 OP1-P-OP2 114.734 -3.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.967 0 O4'-C1'-C2' 102.031 -3.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.94 0 O5'-C5'-C4' 113.768 2.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.921 0 O4'-C1'-C2' 101.992 -3.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.93 0 OP1-P-OP2 115.324 -2.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.906 0 OP1-P-OP2 114.876 -3.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 0 O4'-C1'-N19 110.345 3.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.989 0 O4'-C1'-N19 109.666 2.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.489 -1.368 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.347 5.4 mmtt -64.85 -60.6 7.83 Favored Pre-proline 0 N--CA 1.43 -1.449 0 CA-C-O 114.251 -2.785 . . . . 0.0 114.245 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -83.89 168.87 12.09 Favored 'Trans proline' 0 N--CA 1.433 -2.053 0 CA-C-N 126.164 3.237 . . . . 0.0 108.176 -156.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.7 t -118.6 162.53 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 N-CA-C 102.598 -3.112 . . . . 0.0 102.598 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 p -120.29 160.48 22.91 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 121.611 2.005 . . . . 0.0 108.923 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -27.81 21.27 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 173.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.59 -46.51 63.31 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 128.201 2.601 . . . . 0.0 110.613 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.0 -29.03 69.34 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.087 -1.633 . . . . 0.0 113.977 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -71.29 -48.6 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 128.647 2.779 . . . . 0.0 110.574 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.51 -54.82 41.29 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -57.57 -36.04 71.16 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.249 1.82 . . . . 0.0 112.756 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -69.49 -45.46 68.88 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.63 -16.65 59.51 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.254 -1.529 . . . . 0.0 110.948 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.38 21.92 28.25 Favored Glycine 0 N--CA 1.43 -1.703 0 C-N-CA 125.467 1.508 . . . . 0.0 113.975 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -115.14 -174.18 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 125.114 1.366 . . . . 0.0 111.266 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -92.44 155.53 17.8 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 120.916 -1.115 . . . . 0.0 109.871 173.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -61.58 -30.01 70.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.143 -2.223 . . . . 0.0 115.592 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -72.14 -15.88 61.98 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.834 -1.166 . . . . 0.0 112.164 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -82.05 -44.56 16.45 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.065 -1.647 . . . . 0.0 110.239 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.73 -49.27 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.9 p -54.46 -30.17 52.05 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.679 2.474 . . . . 0.0 117.679 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -65.1 -24.63 67.49 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.484 1.514 . . . . 0.0 113.027 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.41 -46.88 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-O 122.788 1.28 . . . . 0.0 109.313 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -55.75 -59.04 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 128.062 2.545 . . . . 0.0 115.48 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.21 -21.01 0.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -86.82 55.84 3.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.597 -1.939 . . . . 0.0 113.16 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.71 93.93 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.667 2.387 . . . . 0.0 116.82 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 t -142.62 -96.86 0.12 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.46 1.104 . . . . 0.0 108.716 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -89.25 70.2 8.23 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.323 -1.486 . . . . 0.0 111.321 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.78 118.03 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.709 1.204 . . . . 0.0 108.696 173.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 t -71.88 124.34 24.64 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.888 -1.757 . . . . 0.0 110.014 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.45 71.47 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 121.04 -1.037 . . . . 0.0 113.732 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -65.33 -61.26 2.22 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.803 2.041 . . . . 0.0 110.932 173.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -67.32 -35.36 79.28 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.487 1.915 . . . . 0.0 115.797 -176.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -43.37 -52.53 5.84 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.4 -10.99 38.23 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -93.87 -40.73 10.0 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.43 -1.419 . . . . 0.0 109.236 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.2 t -70.49 -42.47 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.136 -1.602 . . . . 0.0 111.649 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -53.73 -32.19 51.1 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.41 -37.71 63.27 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 124.24 1.016 . . . . 0.0 112.525 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -62.4 -48.57 79.15 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.452 -2.03 . . . . 0.0 114.641 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 ptp -63.54 -14.51 51.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.876 -1.765 . . . . 0.0 114.724 171.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.97 -41.69 13.71 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.925 1.29 . . . . 0.0 113.811 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.5 -45.97 67.69 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.364 -1.46 . . . . 0.0 112.261 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.9 mt -85.31 -21.05 29.12 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.653 1.581 . . . . 0.0 113.945 -175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.495 0.6 OUTLIER 65.06 62.39 0.72 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 127.609 2.363 . . . . 0.0 113.632 -173.35 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -58.49 123.01 14.75 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.972 1.841 . . . . 0.0 115.972 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -103.74 104.83 44.74 Favored Pre-proline 0 N--CA 1.43 -1.429 0 N-CA-C 104.745 -2.316 . . . . 0.0 104.745 172.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -73.1 156.08 51.89 Favored 'Trans proline' 0 C--N 1.3 -2.006 0 CA-C-N 125.332 2.94 . . . . 0.0 115.345 151.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -127.21 142.65 51.43 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 122.641 1.21 . . . . 0.0 113.346 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -80.51 40.12 0.49 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.835 -1.791 . . . . 0.0 114.596 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.32 -56.57 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 127.194 2.198 . . . . 0.0 105.326 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.22 70.82 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 130.642 3.577 . . . . 0.0 113.198 172.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -80.46 -1.74 42.88 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -111.41 -63.54 1.4 Allowed 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.65 -1.906 . . . . 0.0 113.626 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tp -49.47 -39.94 35.32 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.77 -27.57 7.5 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 129.647 3.179 . . . . 0.0 115.35 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.47 43.36 1.6 Allowed Glycine 0 N--CA 1.43 -1.752 0 C-N-CA 124.606 1.098 . . . . 0.0 114.005 174.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -69.66 138.3 52.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -85.08 136.87 33.38 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.933 1.693 . . . . 0.0 112.373 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . 0.255 38.0 m 58.67 -108.62 0.42 Allowed 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 125.917 1.687 . . . . 0.0 114.13 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.0 tp . . . . . 0 C--O 1.26 1.615 0 O-C-N 120.839 -1.163 . . . . 0.0 111.051 -179.127 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.49 -1.334 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -84.48 -48.59 0.65 Allowed Pre-proline 0 N--CA 1.43 -1.448 0 N-CA-C 120.414 3.487 . . . . 0.0 120.414 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.2 159.42 4.19 Favored 'Trans proline' 0 N--CA 1.434 -2.028 0 N-CA-C 120.497 3.23 . . . . 0.0 120.497 156.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 t -128.32 159.62 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 101.623 -3.473 . . . . 0.0 101.623 175.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 72.1 p -117.35 161.35 19.67 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.825 -1.797 . . . . 0.0 110.473 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -27.9 54.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -72.11 -40.64 68.01 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.646 1.578 . . . . 0.0 111.989 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.18 -31.83 70.73 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.943 1.297 . . . . 0.0 111.441 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.77 -47.1 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 128.393 2.677 . . . . 0.0 110.071 171.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.01 36.79 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -59.25 -34.14 71.87 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.752 2.021 . . . . 0.0 114.74 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -73.96 -44.57 54.37 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 123.69 0.796 . . . . 0.0 112.643 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.98 -17.15 60.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.588 -1.945 . . . . 0.0 112.798 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.67 32.26 9.45 Favored Glycine 0 N--CA 1.43 -1.741 0 C-N-CA 125.992 1.758 . . . . 0.0 113.32 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -126.12 -178.14 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 121.235 -1.156 . . . . 0.0 110.974 -176.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.6 t -87.83 156.6 19.32 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.932 -1.105 . . . . 0.0 109.31 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -63.87 -26.81 68.78 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.04 -2.288 . . . . 0.0 114.946 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -70.7 -19.9 62.72 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.732 2.013 . . . . 0.0 112.614 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -81.19 -44.5 17.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.529 1.132 . . . . 0.0 109.565 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -55.28 -49.21 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 90.9 p -56.52 -29.81 62.3 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -63.49 -26.79 68.88 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.512 -1.368 . . . . 0.0 112.712 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.5 t -85.86 -44.03 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 120.785 -1.197 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -57.27 -65.74 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 126.363 1.865 . . . . 0.0 114.694 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.56 -7.27 0.34 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -93.56 54.72 2.08 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.428 -2.67 . . . . 0.0 112.275 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 87.44 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 127.509 2.324 . . . . 0.0 117.217 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.3 t -136.27 -98.5 0.22 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.157 1.383 . . . . 0.0 109.268 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -91.32 72.83 6.16 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.126 -1.609 . . . . 0.0 111.086 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.95 113.46 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 125.063 1.345 . . . . 0.0 109.164 175.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.6 t -70.61 126.59 30.03 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.871 -1.143 . . . . 0.0 110.761 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.44 -36.02 82.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.509 -1.37 . . . . 0.0 113.57 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.53 -55.0 38.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.245 1.418 . . . . 0.0 112.12 174.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -70.91 -42.25 70.17 Favored 'General case' 0 N--CA 1.429 -1.515 0 N-CA-C 117.16 2.281 . . . . 0.0 117.16 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -40.71 -52.45 2.94 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.33 -20.32 58.84 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 127.038 2.135 . . . . 0.0 115.525 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.98 -40.48 12.99 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-O 123.599 1.666 . . . . 0.0 109.327 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.1 t -72.04 -40.81 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 O-C-N 119.938 -1.726 . . . . 0.0 112.428 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -58.35 -27.93 64.64 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 123.721 0.808 . . . . 0.0 112.363 174.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.15 60.11 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 123.796 0.838 . . . . 0.0 112.779 171.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -62.02 -45.23 94.51 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.941 -2.35 . . . . 0.0 114.816 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 1.1 ptp -65.72 -16.55 63.87 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.853 -1.779 . . . . 0.0 113.826 173.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.64 -45.41 13.49 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.309 0.958 . . . . 0.0 110.894 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.5 -48.36 72.82 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 122.409 1.099 . . . . 0.0 112.933 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 14.5 mt -82.75 -16.75 46.76 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.729 2.012 . . . . 0.0 115.005 -177.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.412 1.4 p-10 60.51 59.24 2.28 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.363 3.065 . . . . 0.0 112.834 -175.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -54.29 129.71 36.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.22 107.42 55.64 Favored Pre-proline 0 N--CA 1.429 -1.484 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -72.26 154.79 56.6 Favored 'Trans proline' 0 C--N 1.3 -2.017 0 CA-C-N 123.982 2.458 . . . . 0.0 115.593 151.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -125.65 141.44 52.02 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 121.183 -0.948 . . . . 0.0 110.532 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -81.31 45.12 0.83 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 123.836 1.779 . . . . 0.0 115.241 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 33.0 t -116.66 -56.19 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 129.326 3.05 . . . . 0.0 104.974 171.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.77 81.1 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 129.377 3.071 . . . . 0.0 112.807 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.34 -0.45 25.65 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.265 -1.522 . . . . 0.0 114.578 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -114.35 -57.25 2.3 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.725 -1.859 . . . . 0.0 115.263 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -53.96 -43.24 69.72 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.657 -1.902 . . . . 0.0 116.003 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.34 -19.73 0.55 Allowed 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 130.682 3.593 . . . . 0.0 118.433 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.76 29.89 6.02 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 171.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -59.64 144.03 48.91 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -87.23 156.26 19.74 Favored 'General case' 0 N--CA 1.431 -1.379 0 C-N-CA 124.273 1.029 . . . . 0.0 110.766 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.9 m 44.09 -106.75 0.1 Allowed 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 127.5 2.32 . . . . 0.0 116.524 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 40.2 tp . . . . . 0 C--O 1.26 1.631 0 C-N-CA 125.568 1.547 . . . . 0.0 109.813 177.377 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.952 0 O5'-C5'-C4' 114.138 2.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.984 0 P-O5'-C5' 115.188 -3.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.02 0 O5'-C5'-C4' 114.494 3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.877 1 O5'-C5'-C4' 115.885 4.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.87 0 O5'-C5'-C4' 114.241 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.891 0 O5'-C5'-C4' 115.145 3.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.865 0 OP1-P-OP2 115.749 -2.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O5'-C5'-C4' 115.135 3.525 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 O4'-C1'-N19 110.793 3.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.983 0 C5'-C4'-C3' 110.569 -2.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 O5'-C5'-C4' 114.295 2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . 0.453 H2'' ' C6 ' ' C' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.908 0 O5'-C5'-C4' 113.935 2.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . 0.453 ' C6 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.538 1.969 2 O5'-C5'-C4' 116.761 4.686 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.878 1 P-O3'-C3' 126.563 5.719 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 O4'-C1'-N19 110.39 3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.042 0 O4'-C1'-C2' 102.423 -3.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.819 0 O5'-C5'-C4' 113.773 2.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.906 1 O4'-C1'-C2' 101.599 -4.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.941 2 P-O5'-C5' 114.085 -4.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.828 0 O4'-C1'-C2' 102.723 -3.07 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.986 0 O5'-C5'-C4' 114.164 2.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 OP1-P-OP2 115.989 -2.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.891 0 O5'-C5'-C4' 114.153 2.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 0 O4'-C1'-C2' 101.96 -3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O5'-C5'-C4' 114.562 3.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.903 2 O5'-C5'-C4' 116.092 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.908 0 P-O3'-C3' 123.674 3.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.925 0 O5'-C5'-C4' 115.387 3.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.849 0 OP1-P-OP2 116.238 -2.241 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.967 1 O5'-C5'-C4' 115.861 4.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O4'-C1'-C2' 102.696 -3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.959 0 OP1-P-OP2 114.525 -3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.858 0 C3'-C2'-C1' 106.289 2.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.425 H2'' ' C6 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 1.966 0 C3'-C2'-C1' 99.759 -2.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.425 ' C6 ' H2'' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.882 3 O4'-C1'-N19 112.377 5.721 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.848 0 P-O3'-C3' 123.354 3.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.939 0 OP1-P-OP2 114.651 -3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.939 0 C3'-C2'-C1' 98.081 -3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.881 0 O4'-C4'-C3' 107.959 2.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 O4'-C1'-C2' 102.298 -3.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.928 0 P-O5'-C5' 115.197 -3.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.968 0 O5'-C5'-C4' 114.154 2.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.818 0 C4'-C3'-C2' 105.687 2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.887 0 OP1-P-OP2 116.108 -2.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tmm? . . . . . 0 CA--C 1.49 -1.363 0 CA-C-O 118.637 -0.697 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -152.19 -63.98 0.02 OUTLIER Pre-proline 0 N--CA 1.43 -1.461 0 CA-C-O 116.158 -1.877 . . . . 0.0 113.435 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -57.95 139.97 92.26 Favored 'Trans proline' 0 N--CA 1.433 -2.034 0 CA-C-N 127.602 3.751 . . . . 0.0 119.21 153.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 t -110.88 159.28 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 129.416 3.086 . . . . 0.0 103.627 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.1 p -120.43 161.1 21.81 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.567 -1.333 . . . . 0.0 109.911 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -54.21 -29.5 46.42 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.592 2.357 . . . . 0.0 113.8 173.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.441 ' H ' HD23 ' A' ' 6' ' ' LEU . 79.1 m-85 -71.3 -40.69 70.67 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 126.814 2.045 . . . . 0.0 111.535 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.98 -37.8 86.88 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.758 -1.214 . . . . 0.0 112.119 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG21 ' CG ' ' A' ' 47' ' ' TYR . 4.1 t -67.0 -47.73 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.85 2.46 . . . . 0.0 111.705 172.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.79 -52.41 64.08 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.869 2.068 . . . . 0.0 114.648 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -58.75 -44.82 90.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.208 1.403 . . . . 0.0 112.951 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -62.25 -47.73 83.06 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -77.17 -19.31 56.97 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.185 -1.572 . . . . 0.0 113.792 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.05 37.9 8.16 Favored Glycine 0 N--CA 1.429 -1.796 0 C-N-CA 125.341 1.448 . . . . 0.0 113.979 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.44 -177.63 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.693 1.597 . . . . 0.0 111.827 -174.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.4 t -87.4 165.14 15.8 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.554 -1.341 . . . . 0.0 111.154 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -68.72 -34.53 75.79 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.618 -1.927 . . . . 0.0 112.009 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -88.83 14.95 9.17 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.758 -1.214 . . . . 0.0 113.313 170.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 m -91.04 -50.18 6.0 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 105.253 -2.129 . . . . 0.0 105.253 165.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.1 t -50.71 -60.47 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 127.469 2.308 . . . . 0.0 115.859 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.1 p -54.38 -34.9 62.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -68.16 -21.8 64.88 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 111.727 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.91 -45.66 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 119.477 -2.015 . . . . 0.0 109.125 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.2 t -55.26 -52.4 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.744 2.418 . . . . 0.0 112.43 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -87.8 5.64 39.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.898 0.879 . . . . 0.0 112.877 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 46.85 69.31 0.5 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 -177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.71 -168.78 2.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.981 1.712 . . . . 0.0 113.511 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.7 m -71.79 -64.11 1.0 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.122 -2.236 . . . . 0.0 115.872 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -77.84 69.68 4.11 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -174.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.85 117.03 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 176.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 t -79.55 127.64 32.4 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 121.841 0.829 . . . . 0.0 109.752 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.74 -33.09 73.44 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -64.76 -56.46 13.44 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.021 1.391 . . . . 0.0 110.818 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.6 m -64.36 -42.41 96.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 127.617 2.367 . . . . 0.0 113.912 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -41.1 -48.98 3.44 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.59 -18.8 65.59 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -82.16 -40.56 21.62 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 124.501 1.12 . . . . 0.0 108.261 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.0 t -70.5 -47.78 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.318 1.447 . . . . 0.0 110.932 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.89 -25.94 68.38 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.769 -1.207 . . . . 0.0 112.952 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.8 -35.79 67.42 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.299 1.04 . . . . 0.0 112.356 169.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -64.97 -45.1 87.09 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.153 -1.592 . . . . 0.0 113.514 -178.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.0 mtt -50.96 -37.44 44.57 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.478 1.511 . . . . 0.0 113.844 169.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.5 -35.83 45.86 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.619 1.567 . . . . 0.0 113.524 -171.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -69.78 -62.32 1.43 Allowed 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.666 1.698 . . . . 0.0 111.383 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.91 -27.96 66.24 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 112.973 -1.921 . . . . 0.0 114.488 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 69.84 67.31 0.23 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.415 2.286 . . . . 0.0 108.684 -173.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CG ' HG21 ' A' ' 9' ' ' VAL . 14.5 t80 -63.44 136.14 57.4 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.1 mm -106.87 115.46 60.3 Favored Pre-proline 0 N--CA 1.43 -1.443 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -53.26 107.88 0.23 Allowed 'Trans proline' 0 C--N 1.3 -2.01 0 CA-C-N 123.433 2.262 . . . . 0.0 115.245 150.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -83.2 107.36 15.7 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 119.74 1.155 . . . . 0.0 108.374 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -72.64 -14.59 61.63 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.146 -2.221 . . . . 0.0 114.764 -174.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.07 -44.46 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 119.743 -1.848 . . . . 0.0 111.836 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.03 86.25 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 128.02 2.528 . . . . 0.0 113.34 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -59.83 -29.9 68.57 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.94 2.496 . . . . 0.0 113.387 173.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -87.52 -48.66 7.75 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.562 -1.336 . . . . 0.0 113.86 178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' LEU . 13.2 tp -64.58 -38.05 89.69 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.59 -67.91 0.52 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 121.714 -0.616 . . . . 0.0 109.539 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 18.1 41.69 0.01 OUTLIER Glycine 0 N--CA 1.43 -1.74 1 C-N-CA 132.142 4.687 . . . . 0.0 121.433 177.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -67.22 149.28 50.65 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.506 2.039 . . . . 0.0 116.506 -172.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -123.98 163.65 20.94 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.575 1.55 . . . . 0.0 107.803 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.2 t -146.56 -103.75 0.1 Allowed 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.835 -1.166 . . . . 0.0 110.213 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--O 1.261 1.658 0 O-C-N 120.329 -1.482 . . . . 0.0 110.346 177.635 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.8 tmm? . . . . . 0 CA--C 1.491 -1.307 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -149.45 -62.95 0.02 OUTLIER Pre-proline 0 N--CA 1.429 -1.485 0 CA-C-O 115.586 -2.15 . . . . 0.0 114.177 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -60.0 137.76 77.94 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 CA-C-N 126.895 3.498 . . . . 0.0 118.204 151.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 t -105.66 162.34 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 130.639 3.576 . . . . 0.0 103.727 173.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.7 p -123.97 158.6 31.68 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.202 1.365 . . . . 0.0 108.958 -178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.401 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.7 OUTLIER -55.17 -26.86 41.59 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 174.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.401 ' H ' HD23 ' B' ' 6' ' ' LEU . 65.5 m-85 -71.01 -38.19 72.65 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.763 2.425 . . . . 0.0 111.395 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.17 -39.13 78.91 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.852 1.261 . . . . 0.0 110.93 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.413 ' H ' HG23 ' B' ' 9' ' ' VAL . 3.8 t -66.59 -48.19 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 127.075 2.15 . . . . 0.0 111.309 171.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.07 -50.26 71.47 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.677 1.591 . . . . 0.0 114.983 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -58.71 -42.67 89.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.201 1.8 . . . . 0.0 114.941 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -66.58 -47.68 71.99 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.285 -1.509 . . . . 0.0 113.137 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.65 -23.41 58.66 Favored 'General case' 0 N--CA 1.432 -1.373 0 O-C-N 119.779 -1.825 . . . . 0.0 113.099 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.46 31.99 8.51 Favored Glycine 0 N--CA 1.431 -1.667 0 C-N-CA 126.087 1.803 . . . . 0.0 113.76 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -126.95 -169.58 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 125.636 1.575 . . . . 0.0 111.999 -169.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.0 t -96.38 162.75 13.36 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.506 1.146 . . . . 0.0 110.181 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -66.88 -32.43 73.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.564 -1.96 . . . . 0.0 111.991 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -88.29 6.05 38.88 Favored 'General case' 0 CA--C 1.488 -1.407 0 O-C-N 120.141 -1.599 . . . . 0.0 113.616 170.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 89.0 m -84.38 -47.99 10.13 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 104.466 -2.42 . . . . 0.0 104.466 166.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.443 ' O ' HG23 ' B' ' 24' ' ' VAL . 74.0 t -50.65 -63.09 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 N-CA-C 116.64 2.089 . . . . 0.0 116.64 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.8 p -56.99 -33.4 67.08 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -23.36 66.32 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.727 -1.233 . . . . 0.0 111.852 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.68 -49.63 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 120.055 -1.653 . . . . 0.0 109.888 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 20' ' ' VAL . 57.5 t -48.6 -54.77 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 127.952 2.501 . . . . 0.0 115.168 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -85.56 -11.35 54.26 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.9 1.28 . . . . 0.0 113.267 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.253 33.5 mt-30 66.24 70.58 0.42 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.961 2.104 . . . . 0.0 113.903 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.23 -162.07 0.8 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.129 1.372 . . . . 0.0 112.569 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 74.9 m -79.74 -58.32 3.24 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.834 -1.791 . . . . 0.0 114.458 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -82.9 69.81 9.78 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 78.4 t -101.55 115.51 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 25.1 t -77.88 122.61 25.7 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.529 1.132 . . . . 0.0 110.468 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -28.93 68.15 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -175.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.411 ' HG3' ' H ' ' B' ' 33' ' ' LYS . 14.9 mtmt -69.09 -55.65 10.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.61 1.564 . . . . 0.0 111.492 174.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 5.1 m -68.72 -34.18 75.2 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -41.79 -51.79 4.12 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.01 -16.62 64.06 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -83.16 -40.69 19.4 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -70.24 -47.98 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 121.553 -0.717 . . . . 0.0 112.507 173.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.251 39.3 mt-10 -62.83 -27.84 69.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 118.625 0.648 . . . . 0.0 112.115 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.98 -38.63 72.74 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 121.14 -0.975 . . . . 0.0 112.16 169.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.25 -42.27 99.17 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.597 -1.94 . . . . 0.0 114.713 -178.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 30.3 mtt -54.48 -29.79 51.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.728 1.611 . . . . 0.0 115.02 168.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.88 -31.0 20.99 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 125.128 1.371 . . . . 0.0 113.662 -171.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.06 -59.02 2.92 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 124.021 1.867 . . . . 0.0 108.747 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -76.53 -23.51 53.65 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.282 2.233 . . . . 0.0 115.295 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.28 64.23 0.85 Allowed 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.932 1.693 . . . . 0.0 111.051 -173.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -61.14 132.5 53.93 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 11.2 mm -100.85 117.41 62.62 Favored Pre-proline 0 N--CA 1.431 -1.425 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -53.89 108.9 0.31 Allowed 'Trans proline' 0 N--CA 1.433 -2.038 0 CA-C-N 124.058 2.485 . . . . 0.0 116.306 150.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -82.85 112.38 19.61 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 mtt85 -79.28 -11.44 59.94 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.086 -2.259 . . . . 0.0 113.293 -173.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 t -75.6 -42.85 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 120.139 -1.601 . . . . 0.0 111.233 177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.47 70.66 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 128.187 2.595 . . . . 0.0 112.921 171.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -73.25 -26.16 61.0 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.876 -1.765 . . . . 0.0 112.52 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -91.68 -44.65 8.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.705 1.742 . . . . 0.0 115.705 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.14 -45.4 85.17 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 -69.72 0.29 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.333 1.053 . . . . 0.0 111.183 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 16.53 52.34 0.01 OUTLIER Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 130.676 3.988 . . . . 0.0 119.534 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -80.47 150.7 29.6 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -170.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -123.07 161.42 24.39 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.368 1.467 . . . . 0.0 108.443 176.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 32.8 t -141.29 -102.45 0.14 Allowed 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.934 -1.729 . . . . 0.0 107.242 -178.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 47.2 tp . . . . . 0 C--O 1.261 1.661 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 176.615 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.934 0 C3'-C2'-C1' 97.244 -3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.783 0 C3'-C2'-C1' 98.158 -3.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.917 0 O5'-C5'-C4' 115.253 3.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.852 0 P-O5'-C5' 115.941 -3.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.999 0 O5'-C5'-C4' 115.037 3.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.973 0 P-O3'-C3' 124.233 3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.917 0 O5'-C5'-C4' 114.395 2.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.869 0 OP1-P-OP2 115.404 -2.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.809 1 O4'-C1'-C2' 101.002 -4.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.833 0 O5'-C5'-C4' 115.428 3.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.013 0 OP1-P-OP2 115.252 -2.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 O5'-C5'-C4' 115.476 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.873 2 O4'-C1'-N19 113.074 6.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.858 0 OP1-P-OP2 115.143 -2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 0 O5'-C5'-C4' 115.167 3.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . 0.407 H2'' ' C5 ' ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.864 0 O4'-C1'-C2' 102.037 -3.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.407 ' C5 ' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.537 1.929 0 O5'-C5'-C4' 113.739 2.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 O4'-C1'-C2' 101.84 -3.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 O4'-C1'-C2' 102.055 -3.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.912 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 O4'-C1'-N19 110.205 3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.93 0 OP1-P-OP2 115.822 -2.519 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.885 0 O5'-C5'-C4' 115.683 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.877 1 O4'-C1'-C2' 101.65 -4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.987 0 O5'-C5'-C4' 114.6 3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.981 0 O4'-C1'-C2' 102.684 -3.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.841 1 O5'-C5'-C4' 115.814 4.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.981 0 O4'-C1'-N19 104.721 -3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.91 0 O5'-C5'-C4' 115.268 3.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.05 0 O5'-C5'-C4' 114.435 3.025 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.993 0 O4'-C1'-C2' 102.059 -3.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.932 0 O5'-C5'-C4' 114.459 3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.044 0 OP1-P-OP2 115.641 -2.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O5'-C5'-C4' 114.686 3.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.934 1 O4'-C1'-N19 113.233 6.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.942 1 O4'-C1'-N19 111.881 5.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.971 1 O5'-C5'-C4' 116.024 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.92 0 O4'-C1'-C2' 102.187 -3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.959 0 O5'-C5'-C4' 114.162 2.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O4'-C1'-C2' 101.755 -3.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O4'-C1'-C2' 101.898 -3.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.002 0 O4'-C1'-N19 110.76 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.882 0 OP1-P-OP2 115.492 -2.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.921 0 OP1-P-OP2 115.469 -2.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.491 -1.326 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm 52.86 74.33 0.8 Allowed Pre-proline 0 N--CA 1.43 -1.448 0 N-CA-C 117.792 2.515 . . . . 0.0 117.792 -174.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -44.21 140.09 5.82 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 C-N-CA 123.124 2.549 . . . . 0.0 118.658 151.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.1 169.56 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 130.447 3.499 . . . . 0.0 104.977 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 p -132.86 159.44 39.85 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.721 -1.862 . . . . 0.0 108.295 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.46 -31.29 22.71 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 172.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -74.52 -30.49 61.8 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.271 1.829 . . . . 0.0 112.269 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -40.83 69.96 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.422 1.489 . . . . 0.0 110.484 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -66.14 -47.5 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 127.872 2.469 . . . . 0.0 111.347 173.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.22 78.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.59 -45.15 92.73 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.76 1.624 . . . . 0.0 113.597 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.72 -48.61 78.49 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.061 -1.649 . . . . 0.0 113.389 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -74.7 -14.09 60.69 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.563 -1.336 . . . . 0.0 113.38 -177.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.59 31.65 36.17 Favored Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 125.805 1.669 . . . . 0.0 112.788 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.0 m -124.33 -168.72 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 125.131 1.372 . . . . 0.0 109.566 -176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 p -102.64 167.11 10.12 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.984 -1.072 . . . . 0.0 111.626 175.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -68.37 -29.89 68.7 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 118.792 -2.443 . . . . 0.0 113.49 176.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -63.06 -40.77 98.67 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.958 2.103 . . . . 0.0 111.122 171.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -66.06 -42.56 89.29 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.702 -1.249 . . . . 0.0 111.581 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG22 HG13 ' A' ' 38' ' ' VAL . 55.1 t -60.28 -55.59 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 176.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.6 t -55.53 -32.35 62.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.91 -36.04 62.3 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.112 1.765 . . . . 0.0 113.587 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.5 t -88.69 -45.43 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 125.13 1.372 . . . . 0.0 110.027 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 20' ' ' VAL . 54.3 t -55.87 -46.08 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 128.013 2.525 . . . . 0.0 113.906 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -90.81 0.02 57.58 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.389 -1.444 . . . . 0.0 114.166 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 52.59 64.31 1.9 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.996 2.119 . . . . 0.0 115.687 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.56 -174.71 2.16 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 121.959 0.885 . . . . 0.0 111.901 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.9 m -82.44 -54.24 5.36 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.746 -1.846 . . . . 0.0 110.229 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 55.7 m170 -77.26 70.48 3.66 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.086 1.354 . . . . 0.0 113.242 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.7 t -105.68 125.29 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 173.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 t -72.56 119.79 17.28 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 121.085 -1.009 . . . . 0.0 110.121 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.58 -29.48 70.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.401 1.48 . . . . 0.0 114.019 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -66.72 -55.82 13.35 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.764 -1.21 . . . . 0.0 110.756 174.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -65.57 -37.91 88.02 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.657 1.983 . . . . 0.0 115.727 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -43.36 -49.59 6.94 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.54 -19.63 63.84 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.685 1.994 . . . . 0.0 115.696 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -84.58 -43.66 14.26 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.947 -1.095 . . . . 0.0 108.319 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.439 HG13 HG22 ' A' ' 20' ' ' VAL . 7.4 t -68.18 -46.24 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 124.048 0.939 . . . . 0.0 111.503 176.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -58.12 -29.12 65.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 121.182 -0.949 . . . . 0.0 112.668 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.21 71.77 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 123.141 0.576 . . . . 0.0 112.368 172.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -66.19 -41.67 89.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.524 -1.985 . . . . 0.0 115.077 178.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.9 mtt -55.99 -27.26 52.0 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 168.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.32 -42.48 14.56 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.505 1.122 . . . . 0.0 113.313 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -68.32 -52.32 34.85 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 123.903 1.811 . . . . 0.0 112.603 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.31 -23.75 37.65 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 113.437 -1.71 . . . . 0.0 113.189 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.86 63.88 0.31 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.926 2.091 . . . . 0.0 110.514 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -60.07 124.33 19.89 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -105.69 105.25 52.21 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 169.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -64.56 115.06 2.99 Favored 'Trans proline' 0 C--N 1.299 -2.037 0 CA-C-N 123.474 2.277 . . . . 0.0 115.95 154.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -75.51 140.37 42.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.255 1.422 . . . . 0.0 112.817 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -73.19 -28.85 62.43 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.95 -1.719 . . . . 0.0 113.268 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -62.29 -40.97 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.702 -1.874 . . . . 0.0 113.293 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.41 -24.17 65.63 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.745 2.418 . . . . 0.0 113.49 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -81.88 -32.78 30.86 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.712 -1.242 . . . . 0.0 111.243 173.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -86.72 -36.74 18.49 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 -172.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 56' ' ' LEU . 8.0 tp -71.32 -42.68 68.31 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.624 -1.923 . . . . 0.0 112.48 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.68 -58.05 10.25 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.235 2.214 . . . . 0.0 108.779 165.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.22 -49.88 0.87 Allowed Glycine 0 N--CA 1.43 -1.727 0 N-CA-C 121.927 3.531 . . . . 0.0 121.927 162.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -98.76 -174.99 2.93 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 -164.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -154.69 113.43 3.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.885 1.274 . . . . 0.0 109.634 176.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.0 p -89.72 -169.19 2.37 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.638 1.975 . . . . 0.0 113.456 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.261 1.678 0 C-N-CA 127.588 2.355 . . . . 0.0 115.378 178.89 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.49 -1.333 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm 65.31 84.21 0.18 Allowed Pre-proline 0 N--CA 1.429 -1.485 0 C-N-CA 127.485 2.314 . . . . 0.0 112.936 -174.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.34 153.81 4.46 Favored 'Trans proline' 0 C--N 1.299 -2.067 0 C-N-CA 123.301 2.668 . . . . 0.0 117.904 150.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.05 164.94 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 N-CA-C 103.077 -2.934 . . . . 0.0 103.077 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 20.2 p -128.26 160.98 30.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.769 -1.832 . . . . 0.0 109.521 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.435 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.8 OUTLIER -50.85 -31.7 18.06 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 171.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.435 ' H ' HD23 ' B' ' 6' ' ' LEU . 60.5 m-85 -72.08 -35.1 69.15 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.28 1.432 . . . . 0.0 112.538 176.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -40.2 77.07 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.637 1.575 . . . . 0.0 110.657 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 t -64.88 -48.49 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.726 2.41 . . . . 0.0 111.365 173.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.35 83.51 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -61.67 -43.72 98.32 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.867 1.667 . . . . 0.0 113.364 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -62.91 -49.47 74.67 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.149 0.98 . . . . 0.0 113.184 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.56 -10.63 59.73 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.724 -1.235 . . . . 0.0 113.377 -176.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.12 27.86 61.37 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 125.845 1.688 . . . . 0.0 113.8 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -116.26 -152.89 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.389 1.476 . . . . 0.0 110.632 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.4 p -120.51 165.05 15.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.785 1.634 . . . . 0.0 109.546 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -66.98 -30.06 70.07 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.731 -1.855 . . . . 0.0 113.249 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -65.46 -39.33 91.87 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.123 1.769 . . . . 0.0 111.595 172.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -66.26 -43.27 86.95 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.643 1.177 . . . . 0.0 111.335 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.402 ' O ' HG23 ' B' ' 24' ' ' VAL . 54.4 t -58.15 -58.27 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 177.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.1 t -58.03 -29.19 65.15 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -54.24 -36.03 63.12 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.12 1.768 . . . . 0.0 113.352 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 37.4 t -88.13 -46.67 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 124.26 1.024 . . . . 0.0 110.497 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 20' ' ' VAL . 58.0 t -55.35 -48.52 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.073 2.149 . . . . 0.0 114.52 -178.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -84.06 -15.06 48.85 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 66.84 70.96 0.39 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.944 1.697 . . . . 0.0 113.655 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.64 -170.31 1.52 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 122.368 1.08 . . . . 0.0 111.957 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.3 m -90.08 -52.55 4.9 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.274 -2.141 . . . . 0.0 109.696 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 53.5 m170 -78.67 73.96 5.21 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.794 0.838 . . . . 0.0 112.604 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.48 129.14 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 174.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.8 t -75.71 119.13 19.32 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.244 -1.535 . . . . 0.0 110.325 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.92 70.11 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -67.31 -56.79 8.3 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.265 1.426 . . . . 0.0 110.514 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.3 m -65.46 -36.23 83.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.883 2.073 . . . . 0.0 116.324 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -45.11 -51.57 10.14 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.14 -15.88 48.78 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 117.028 2.232 . . . . 0.0 117.028 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -85.65 -43.37 13.49 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.153 -1.592 . . . . 0.0 107.32 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 t -68.07 -45.82 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 120.862 -1.148 . . . . 0.0 113.197 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -58.2 -31.76 67.62 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 123.967 0.907 . . . . 0.0 111.693 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.9 -38.62 79.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.475 -0.766 . . . . 0.0 113.043 171.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.75 -40.84 92.5 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.418 -2.051 . . . . 0.0 114.534 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 33.0 mtt -56.51 -30.55 63.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.89 -39.08 22.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.417 1.087 . . . . 0.0 113.421 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.75 -52.5 24.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 124.5 2.095 . . . . 0.0 112.224 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.7 -22.65 34.44 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.325 1.45 . . . . 0.0 113.053 -174.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.52 66.33 0.25 Allowed 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 127.088 2.155 . . . . 0.0 109.484 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -63.32 126.2 26.67 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.76 105.0 53.75 Favored Pre-proline 0 N--CA 1.43 -1.455 0 N-CA-C 102.724 -3.065 . . . . 0.0 102.724 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -65.23 114.01 2.66 Favored 'Trans proline' 0 C--N 1.299 -2.064 0 CA-C-N 123.034 2.119 . . . . 0.0 115.478 153.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -75.55 141.34 42.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.32 1.533 . . . . 0.0 114.643 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -70.14 -32.39 70.36 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.778 -1.826 . . . . 0.0 114.202 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.29 -41.36 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-O 123.979 1.847 . . . . 0.0 113.562 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.36 -24.57 64.81 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.838 2.455 . . . . 0.0 113.027 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -80.75 -33.92 34.71 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.581 1.181 . . . . 0.0 111.944 173.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -84.49 -37.93 20.71 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 119.26 3.059 . . . . 0.0 119.26 -172.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' B' ' 56' ' ' LEU . 7.9 tp -71.16 -45.47 63.44 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.109 -2.245 . . . . 0.0 111.821 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.66 67.29 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.375 2.67 . . . . 0.0 110.314 166.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.07 -54.82 0.8 Allowed Glycine 0 N--CA 1.43 -1.705 0 N-CA-C 121.699 3.44 . . . . 0.0 121.699 162.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -101.3 -178.87 3.87 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.508 2.781 . . . . 0.0 118.508 -161.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -145.15 116.47 7.98 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.769 1.228 . . . . 0.0 110.434 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 84.5 p -93.35 -174.15 3.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 124.97 1.308 . . . . 0.0 110.233 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--O 1.259 1.589 0 C-N-CA 125.736 1.614 . . . . 0.0 115.03 -178.62 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.854 1 C3'-C2'-C1' 97.027 -4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.943 0 O5'-C5'-C4' 114.785 3.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O4'-C1'-C2' 102.225 -3.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.908 0 P-O5'-C5' 114.954 -3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.844 0 O5'-C5'-C4' 115.22 3.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.879 0 OP1-P-OP2 115.515 -2.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.844 0 P-O5'-C5' 116.397 -2.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 0 O5'-C5'-C4' 115.356 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.951 0 O4'-C1'-N19 110.172 2.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 C5'-C4'-C3' 108.743 -3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.998 0 O5'-C5'-C4' 114.254 2.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.94 0 O5'-C5'-C4' 114.041 2.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . 0.432 " H2'" ' C6 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.539 2.081 3 O4'-C1'-N19 113.052 6.565 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . 0.432 ' C6 ' " H2'" ' C' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.91 0 OP1-P-OP2 115.26 -2.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.928 0 O4'-C1'-C2' 103.065 -2.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.984 0 O4'-C1'-C2' 101.795 -3.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.942 0 O5'-C5'-C4' 114.511 3.079 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.899 0 O4'-C1'-C2' 101.782 -3.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.848 0 OP1-P-OP2 115.827 -2.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.897 1 O4'-C1'-N19 111.108 4.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.789 0 O4'-C1'-N19 109.969 2.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.931 0 C4'-C3'-C2' 100.209 -2.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.001 0 O4'-C1'-C2' 102.135 -3.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O4'-C1'-C2' 102.833 -2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 O4'-C1'-C2' 102.301 -3.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.852 0 P-O5'-C5' 114.874 -3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 0 O5'-C5'-C4' 114.46 3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.802 0 O5'-C5'-C4' 113.793 2.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.952 0 O4'-C1'-N19 110.218 3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.007 0 O5'-C5'-C4' 115.287 3.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.842 0 C3'-C2'-C1' 98.166 -3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.002 0 C5'-C4'-C3' 108.824 -3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.902 0 OP1-P-OP2 116.067 -2.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.895 0 O5'-C5'-C4' 115.636 3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.45 " H2'" ' C6 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.538 1.959 3 O4'-C1'-N19 112.385 5.732 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.45 ' C6 ' " H2'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 1.972 0 O5'-C5'-C4' 114.634 3.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.441 H2'' ' C8 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.537 1.872 0 O5'-C5'-C4' 114.566 3.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.441 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 1.954 1 O4'-C1'-C2' 101.042 -4.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 O5'-C5'-C4' 113.861 2.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.948 0 O4'-C1'-C2' 102.963 -2.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 O5'-C5'-C4' 113.875 2.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.811 0 O4'-C1'-N19 110.493 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.798 0 O5'-C5'-C4' 114.698 3.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 0 C4'-C3'-C2' 100.522 -2.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 CA--C 1.49 -1.327 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -91.62 148.76 38.02 Favored Pre-proline 0 N--CA 1.43 -1.458 0 O-C-N 120.256 -1.528 . . . . 0.0 107.762 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -54.4 155.69 15.79 Favored 'Trans proline' 0 N--CA 1.434 -2.003 0 N-CA-C 118.885 2.61 . . . . 0.0 118.885 156.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.3 t -140.69 163.16 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -126.42 162.2 26.13 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 119.783 1.174 . . . . 0.0 109.84 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -51.48 -31.49 23.68 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.654 1.982 . . . . 0.0 115.485 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -72.97 -37.87 66.91 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.517 1.927 . . . . 0.0 111.799 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -69.11 -38.96 79.19 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.403 1.481 . . . . 0.0 111.246 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG21 ' CG ' ' A' ' 47' ' ' TYR . 14.9 t -69.42 -44.65 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.545 1.938 . . . . 0.0 111.296 173.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -52.44 65.37 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.115 1.366 . . . . 0.0 113.458 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.57 -40.57 92.15 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.02 1.328 . . . . 0.0 113.572 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -64.22 -48.47 75.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.736 -1.228 . . . . 0.0 113.6 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.88 -14.76 59.85 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.833 -1.792 . . . . 0.0 112.802 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.12 36.44 10.0 Favored Glycine 0 N--CA 1.43 -1.717 0 O-C-N 120.165 -1.585 . . . . 0.0 113.568 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.94 -171.21 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 125.042 1.337 . . . . 0.0 111.424 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.4 t -97.86 167.47 10.91 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.945 1.355 . . . . 0.0 110.138 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -73.14 -26.43 61.21 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.878 -1.764 . . . . 0.0 112.189 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.99 -40.09 87.31 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.979 1.311 . . . . 0.0 112.116 170.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.0 m -60.43 -44.16 96.07 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.929 2.092 . . . . 0.0 111.512 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.68 -61.07 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 126.592 1.957 . . . . 0.0 115.105 173.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -52.33 -33.78 44.2 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -23.03 64.99 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.093 -1.629 . . . . 0.0 114.759 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 t -90.44 -51.05 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.468 -1.395 . . . . 0.0 109.701 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.4 t -52.86 -49.68 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 129.186 2.995 . . . . 0.0 114.359 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.75 -1.82 29.23 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.922 1.289 . . . . 0.0 114.443 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.256 77.0 mt-30 62.53 56.56 2.02 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.03 -164.63 0.84 Allowed 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.601 -1.312 . . . . 0.0 111.285 176.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -112.57 -72.19 0.72 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.563 -1.336 . . . . 0.0 113.554 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -71.29 82.89 0.76 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 120.014 3.338 . . . . 0.0 120.014 -167.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.3 t -133.42 -80.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 N-CA-C 104.771 -2.307 . . . . 0.0 104.771 167.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -179.04 -169.97 0.17 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 101.161 -3.644 . . . . 0.0 101.161 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.43 -30.56 3.64 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 122.036 2.198 . . . . 0.0 114.676 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -67.42 -52.73 36.2 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.6 m -48.4 -40.62 26.41 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 127.068 2.147 . . . . 0.0 116.338 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -29.86 -52.98 0.14 Allowed 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 118.372 2.731 . . . . 0.0 118.372 169.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.31 -21.94 66.78 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.18 2.192 . . . . 0.0 116.755 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -82.98 -36.99 24.64 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.875 1.67 . . . . 0.0 108.97 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.1 t -67.14 -41.08 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 121.774 -0.579 . . . . 0.0 112.143 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -51.82 -31.2 26.49 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.89 70.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.881 1.272 . . . . 0.0 113.607 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -62.24 -38.66 90.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.499 -2.001 . . . . 0.0 115.698 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.0 mtt -53.22 -31.1 41.51 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.05 -26.4 23.73 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.035 1.334 . . . . 0.0 113.642 -172.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.67 -57.98 3.54 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-O 123.448 1.594 . . . . 0.0 111.911 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -75.98 -22.63 55.67 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 127.148 2.179 . . . . 0.0 114.547 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.95 65.68 0.17 Allowed 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 127.115 2.166 . . . . 0.0 108.597 -173.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.431 ' CG ' HG21 ' A' ' 9' ' ' VAL . 11.4 t80 -62.94 121.32 13.23 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.0 109.4 63.07 Favored Pre-proline 0 N--CA 1.43 -1.455 0 N-CA-C 103.131 -2.914 . . . . 0.0 103.131 170.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -65.42 135.36 42.37 Favored 'Trans proline' 0 C--N 1.299 -2.03 0 CA-C-N 122.695 1.998 . . . . 0.0 114.603 151.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -93.31 133.88 36.09 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.803 -1.186 . . . . 0.0 108.442 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -72.96 -15.19 61.56 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.142 -1.598 . . . . 0.0 111.865 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.8 t -64.77 -47.94 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 127.354 2.261 . . . . 0.0 111.816 171.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.48 -24.19 65.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.438 1.895 . . . . 0.0 113.037 174.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -83.32 -16.08 47.58 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.88 -1.763 . . . . 0.0 112.512 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -101.67 -40.58 6.92 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 56' ' ' LEU . 10.2 tp -65.43 -43.73 89.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.983 -1.698 . . . . 0.0 113.738 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.47 -73.4 0.17 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.377 1.071 . . . . 0.0 108.734 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 12.41 53.32 0.01 OUTLIER Glycine 0 N--CA 1.429 -1.802 1 C-N-CA 131.969 4.604 . . . . 0.0 121.461 174.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.46 137.68 54.65 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 49.33 54.83 10.29 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 128.089 2.555 . . . . 0.0 115.489 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.9 t -100.7 125.74 47.17 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.013 -1.055 . . . . 0.0 110.854 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.26 1.641 0 C-N-CA 124.936 1.294 . . . . 0.0 108.569 -177.761 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 CA--C 1.49 -1.355 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -108.98 150.96 41.61 Favored Pre-proline 0 N--CA 1.431 -1.411 0 C-N-CA 125.086 1.354 . . . . 0.0 110.403 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -87.18 147.36 7.75 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 N-CA-C 106.464 -2.168 . . . . 0.0 106.464 -157.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.91 166.39 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 126.388 1.875 . . . . 0.0 106.036 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -124.89 159.52 30.94 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.851 -1.156 . . . . 0.0 108.13 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -49.49 -34.07 16.09 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 169.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -72.16 -34.01 68.15 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.653 1.981 . . . . 0.0 113.071 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -72.76 -39.9 66.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 122.328 1.061 . . . . 0.0 110.392 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.5 -44.18 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 126.102 1.761 . . . . 0.0 111.086 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.52 73.3 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.69 -40.51 92.45 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.576 -1.328 . . . . 0.0 113.287 175.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.451 ' CE1' ' HG3' ' B' ' 44' ' ' GLU . 50.5 t80 -63.29 -47.96 80.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.235 -1.541 . . . . 0.0 113.495 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.573 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -77.44 -13.6 59.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.583 -1.323 . . . . 0.0 113.432 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.29 33.81 22.02 Favored Glycine 0 N--CA 1.429 -1.78 0 C-N-CA 125.488 1.518 . . . . 0.0 113.927 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 26.2 m -127.58 -174.04 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.862 1.665 . . . . 0.0 112.083 -175.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 32.3 t -95.02 168.37 10.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 123.604 1.668 . . . . 0.0 110.687 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -75.52 -24.89 56.84 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.766 -1.833 . . . . 0.0 112.493 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -68.09 -41.65 81.54 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.459 1.504 . . . . 0.0 110.559 170.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.1 m -59.68 -43.8 93.88 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 125.797 1.639 . . . . 0.0 112.052 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.46 -61.06 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 126.336 1.854 . . . . 0.0 115.342 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.2 t -55.68 -31.96 62.85 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -21.68 63.84 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.144 -1.598 . . . . 0.0 114.601 172.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.58 -51.17 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 120.111 -1.618 . . . . 0.0 109.163 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 t -51.39 -52.47 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 129.037 2.935 . . . . 0.0 114.465 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.89 -4.05 28.52 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.26 76.4 mt-30 64.0 67.91 0.59 Allowed 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.45 -151.5 0.23 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.275 -1.516 . . . . 0.0 111.106 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.9 m -124.94 -75.17 0.6 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.769 -1.207 . . . . 0.0 112.233 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -70.6 83.34 0.61 Allowed 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 119.294 3.072 . . . . 0.0 119.294 -168.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.19 -74.75 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 168.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 29.8 t 173.71 -173.25 0.05 Allowed 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 101.219 -3.623 . . . . 0.0 101.219 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -122.73 -25.05 4.73 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -70.82 -54.78 10.3 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.489 -1.382 . . . . 0.0 113.698 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 7.7 m -47.56 -41.34 21.16 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.901 2.08 . . . . 0.0 116.304 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -30.0 -51.04 0.12 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 118.632 2.827 . . . . 0.0 118.632 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.11 -24.76 67.52 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -80.48 -34.23 35.99 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.98 1.712 . . . . 0.0 109.769 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 t -70.69 -40.92 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.228 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -52.32 -33.01 40.61 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 122.432 1.11 . . . . 0.0 113.343 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.28 73.39 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.706 1.202 . . . . 0.0 114.228 174.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.573 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -64.83 -43.0 94.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.472 -1.392 . . . . 0.0 114.671 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 43.7 mtt -48.13 -34.05 9.25 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 126.249 1.82 . . . . 0.0 114.78 171.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.9 -25.4 35.0 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -174.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.451 ' HG3' ' CE1' ' B' ' 12' ' ' TYR . 5.7 mm-40 -78.94 -61.2 2.09 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.338 -1.476 . . . . 0.0 111.377 -176.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.25 -16.59 54.38 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.052 1.741 . . . . 0.0 113.202 -175.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.14 63.23 0.1 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.316 2.246 . . . . 0.0 109.506 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -59.69 120.76 10.09 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.29 101.13 33.26 Favored Pre-proline 0 N--CA 1.43 -1.435 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -61.83 129.92 29.3 Favored 'Trans proline' 0 C--N 1.3 -2.009 0 CA-C-N 123.827 2.403 . . . . 0.0 115.459 152.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -91.12 134.81 34.22 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 121.078 -1.014 . . . . 0.0 109.321 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -70.65 -14.44 62.47 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.369 -1.457 . . . . 0.0 113.789 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 9.8 t -65.23 -49.0 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 127.921 2.488 . . . . 0.0 111.375 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.18 -21.81 65.77 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 124.338 2.018 . . . . 0.0 113.451 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -84.69 -19.16 33.26 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.337 -1.477 . . . . 0.0 111.11 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -100.09 -36.88 9.18 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' B' ' 56' ' ' LEU . 10.6 tp -68.63 -42.69 77.71 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 120.934 1.697 . . . . 0.0 113.515 -176.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -75.75 0.11 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.285 1.434 . . . . 0.0 109.065 167.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 15.28 53.48 0.01 OUTLIER Glycine 0 N--CA 1.43 -1.749 1 C-N-CA 130.766 4.031 . . . . 0.0 121.558 173.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -68.6 136.32 52.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 48.36 54.62 10.09 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 127.81 2.444 . . . . 0.0 116.189 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 21.7 t -97.52 117.12 31.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.922 1.289 . . . . 0.0 110.919 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.26 1.611 0 C-N-CA 124.321 1.048 . . . . 0.0 111.741 -177.719 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.776 0 O5'-C5'-C4' 114.532 3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.843 0 C3'-C2'-C1' 97.285 -3.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.799 0 O5'-C5'-C4' 114.982 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.872 0 O4'-C1'-C2' 102.478 -3.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.95 0 O5'-C5'-C4' 115.109 3.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.966 0 O5'-C5'-C4' 114.185 2.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.894 0 O4'-C1'-C2' 102.934 -2.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.85 0 C3'-C2'-C1' 99.048 -2.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.0 1 O4'-C1'-C2' 101.041 -4.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.918 0 O4'-C1'-C2' 102.624 -3.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 0 O4'-C1'-N19 105.331 -3.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.016 0 O5'-C5'-C4' 113.866 2.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.917 2 C5'-C4'-C3' 107.34 -4.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.968 0 C5'-C4'-C3' 110.282 -2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.928 0 O5'-C5'-C4' 114.074 2.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 0 P-O5'-C5' 117.392 -2.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.888 0 OP1-P-OP2 115.008 -3.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.402 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.537 1.863 0 O4'-C1'-C2' 102.19 -3.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.402 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.537 1.915 0 O4'-C1'-C2' 103.174 -2.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.986 0 O5'-C5'-C4' 114.619 3.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.969 0 OP1-P-OP2 113.778 -3.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.991 0 OP1-P-OP2 115.87 -2.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.887 0 O5'-C5'-C4' 115.307 3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.903 0 O5'-C5'-C4' 115.678 3.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.954 0 OP1-P-OP2 115.211 -2.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.0 1 O5'-C5'-C4' 115.883 4.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 0 OP1-P-OP2 114.806 -3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 0 O4'-C1'-C2' 102.391 -3.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O4'-C1'-N19 110.945 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.851 0 O5'-C5'-C4' 114.787 3.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.963 0 O4'-C1'-C2' 101.702 -3.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.805 0 O5'-C5'-C4' 114.322 2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.918 0 OP1-P-OP2 115.511 -2.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.432 H2'' ' C6 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.536 1.832 0 O4'-C1'-N19 110.17 2.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.432 ' C6 ' H2'' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.903 2 O4'-C1'-N19 112.695 6.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.925 0 O5'-C5'-C4' 113.944 2.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 OP1-P-OP2 116.006 -2.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 O4'-C1'-C2' 103.378 -2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.025 0 P-O5'-C5' 115.818 -3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 O4'-C1'-C2' 101.997 -3.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.843 0 O4'-C1'-C2' 102.869 -2.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 O4'-C1'-C2' 103.1 -2.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.948 0 O4'-C1'-N19 109.716 2.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.847 0 O5'-C5'-C4' 113.61 2.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 ttp . . . . . 0 CA--C 1.49 -1.333 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -94.71 -52.05 0.24 Allowed Pre-proline 0 N--CA 1.43 -1.447 0 CA-C-O 116.695 -1.622 . . . . 0.0 113.13 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.43 160.21 49.26 Favored 'Trans proline' 0 N--CA 1.433 -2.043 0 CA-C-N 124.512 2.647 . . . . 0.0 111.95 141.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.5 t -120.7 160.79 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 101.74 -3.43 . . . . 0.0 101.74 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -121.04 158.39 27.93 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.011 -1.681 . . . . 0.0 109.678 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 7' ' ' TYR . 1.1 pt? -49.34 -31.85 10.11 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.381 1.872 . . . . 0.0 114.863 171.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.404 ' H ' HD23 ' A' ' 6' ' ' LEU . 78.6 m-85 -71.13 -40.74 71.24 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 125.791 1.636 . . . . 0.0 112.45 175.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -68.23 -39.25 82.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.817 1.247 . . . . 0.0 110.38 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 t -64.78 -45.91 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 126.608 1.963 . . . . 0.0 111.243 172.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.24 70.91 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 125.714 1.605 . . . . 0.0 114.378 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -61.12 -36.23 79.18 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.935 1.294 . . . . 0.0 114.04 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -67.38 -49.18 64.99 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.266 -0.896 . . . . 0.0 113.001 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -75.28 -21.83 58.21 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.338 -2.101 . . . . 0.0 112.699 -178.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.9 34.97 6.97 Favored Glycine 0 N--CA 1.43 -1.715 0 O-C-N 119.9 -1.75 . . . . 0.0 113.595 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.71 -165.4 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 124.645 1.178 . . . . 0.0 111.3 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.2 t -98.93 162.34 13.14 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 123.073 1.416 . . . . 0.0 108.546 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -66.66 -33.95 76.79 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.991 -1.693 . . . . 0.0 112.8 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -70.11 -30.1 67.21 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.005 -1.685 . . . . 0.0 113.738 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.2 m -61.52 -42.63 99.09 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.057 1.343 . . . . 0.0 110.739 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 24' ' ' VAL . 89.6 t -58.64 -59.21 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 125.242 1.417 . . . . 0.0 113.627 171.222 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.7 m -55.44 -25.77 38.16 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 118.62 2.822 . . . . 0.0 118.62 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -71.77 -23.97 61.68 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.049 -1.657 . . . . 0.0 111.999 173.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -84.48 -48.62 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-O 123.889 1.804 . . . . 0.0 110.14 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.7 t -54.81 -43.34 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 128.336 2.654 . . . . 0.0 113.07 178.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -84.21 -4.92 59.14 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 60.94 54.4 3.45 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.79 1.636 . . . . 0.0 114.811 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.44 -179.08 7.3 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.6 m -78.72 -59.55 2.74 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.605 -1.309 . . . . 0.0 112.844 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -79.55 72.58 6.22 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.5 t -114.21 135.26 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 127.649 2.379 . . . . 0.0 106.488 173.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.2 t -84.08 132.06 34.74 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 121.3 -0.875 . . . . 0.0 109.228 177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -33.53 73.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -70.32 -56.27 7.12 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-O 123.11 1.433 . . . . 0.0 110.693 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -57.71 -37.09 72.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.691 1.996 . . . . 0.0 114.778 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -49.83 -48.23 51.02 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.93 -10.55 29.82 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -95.24 -43.11 8.21 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.723 -1.236 . . . . 0.0 108.904 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.85 -46.87 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 124.636 1.174 . . . . 0.0 113.025 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -56.4 -35.05 67.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.951 1.3 . . . . 0.0 111.972 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.17 -37.18 72.2 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.483 1.513 . . . . 0.0 113.293 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -64.05 -41.77 97.27 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.055 -1.653 . . . . 0.0 114.4 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.1 mtt -57.59 -27.85 63.09 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 120.654 -1.279 . . . . 0.0 113.649 171.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.84 -31.86 20.58 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 123.954 0.902 . . . . 0.0 113.32 -172.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -72.18 -59.33 2.79 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 123.145 1.45 . . . . 0.0 112.09 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.84 -24.13 58.55 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.197 1.799 . . . . 0.0 114.285 -176.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 72.11 67.9 0.14 Allowed 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.727 2.411 . . . . 0.0 109.396 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -63.08 115.25 4.28 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.12 108.2 60.74 Favored Pre-proline 0 N--CA 1.43 -1.452 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 167.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -65.65 152.05 82.84 Favored 'Trans proline' 0 N--CA 1.434 -2.026 0 CA-C-N 123.913 2.433 . . . . 0.0 118.404 155.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -96.41 142.46 28.49 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.805 1.288 . . . . 0.0 109.004 175.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -82.36 -23.06 35.21 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 118.927 -2.358 . . . . 0.0 112.729 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -57.14 -41.29 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 C-N-CA 127.822 2.449 . . . . 0.0 111.049 170.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -24.33 66.42 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.703 2.801 . . . . 0.0 114.464 176.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -88.51 -32.11 18.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.429 -1.42 . . . . 0.0 112.101 174.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -80.47 -46.04 16.56 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 116.534 2.05 . . . . 0.0 116.534 -172.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.81 -46.13 79.77 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.902 -1.749 . . . . 0.0 112.099 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.91 -44.89 50.49 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 130.012 3.325 . . . . 0.0 113.213 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.48 71.49 1.29 Allowed Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 123.482 0.563 . . . . 0.0 113.778 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -64.46 133.23 52.06 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 123.01 1.386 . . . . 0.0 112.93 169.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -73.81 131.6 41.71 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.696 1.598 . . . . 0.0 114.518 -173.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 p -79.01 -50.72 10.65 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.679 1.992 . . . . 0.0 113.691 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.259 1.599 0 C-N-CA 127.148 2.179 . . . . 0.0 115.741 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.2 ttp . . . . . 0 CA--C 1.49 -1.329 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -85.17 -53.68 0.46 Allowed Pre-proline 0 N--CA 1.429 -1.486 0 O-C-N 120.087 -1.633 . . . . 0.0 113.714 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.73 165.19 31.76 Favored 'Trans proline' 0 N--CA 1.433 -2.056 0 CA-C-N 124.932 2.797 . . . . 0.0 111.966 144.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.9 t -125.41 164.18 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 100.819 -3.771 . . . . 0.0 100.819 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 19.4 p -124.81 160.37 28.88 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.764 -1.835 . . . . 0.0 108.146 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.409 ' HG ' ' HB2' ' B' ' 17' ' ' TYR . 1.4 pt? -51.37 -30.63 19.51 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 171.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -70.23 -39.77 74.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.96 1.704 . . . . 0.0 111.22 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.33 -34.51 74.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.77 1.228 . . . . 0.0 113.074 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 t -66.79 -47.02 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.506 0 C-N-CA 126.966 2.106 . . . . 0.0 109.908 171.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.74 68.54 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -58.66 -39.09 79.64 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.115 1.766 . . . . 0.0 112.564 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -67.98 -48.16 66.58 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.106 -1.621 . . . . 0.0 114.368 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.88 -20.73 59.6 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.551 -1.343 . . . . 0.0 113.226 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.54 29.94 15.03 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 124.962 1.268 . . . . 0.0 112.567 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.4 m -121.26 -176.39 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 C-N-CA 126.121 1.768 . . . . 0.0 111.364 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.5 t -84.44 163.2 19.62 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 123.762 1.744 . . . . 0.0 110.321 170.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.409 ' HB2' ' HG ' ' B' ' 6' ' ' LEU . 48.0 p90 -69.89 -32.5 70.86 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.163 -2.211 . . . . 0.0 112.24 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -69.65 -34.3 73.81 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.327 -1.483 . . . . 0.0 112.247 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 85.2 m -59.87 -44.01 94.4 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.624 1.969 . . . . 0.0 110.673 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.421 ' HA ' HG11 ' B' ' 38' ' ' VAL . 65.7 t -57.12 -62.01 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.88 1.272 . . . . 0.0 113.611 170.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -54.64 -28.2 45.24 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 118.726 2.861 . . . . 0.0 118.726 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -69.12 -21.47 64.03 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.57 -1.956 . . . . 0.0 114.017 172.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -85.83 -45.06 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 O-C-N 120.458 -1.402 . . . . 0.0 109.688 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 20' ' ' VAL . 37.7 t -59.52 -46.58 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 128.132 2.573 . . . . 0.0 113.31 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -79.78 -2.52 43.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.62 -1.3 . . . . 0.0 113.686 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 56.8 61.64 2.55 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.063 2.145 . . . . 0.0 113.768 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.27 -176.91 5.83 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 123.273 1.511 . . . . 0.0 114.332 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -78.98 -62.83 1.57 Allowed 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.616 -1.302 . . . . 0.0 114.216 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -81.1 71.69 8.09 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.218 1.485 . . . . 0.0 114.862 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.8 t -111.95 139.01 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 104.296 -2.483 . . . . 0.0 104.296 172.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.2 t -88.16 138.3 31.57 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-O 122.14 0.971 . . . . 0.0 109.006 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.83 71.84 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.609 -1.307 . . . . 0.0 114.409 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -72.52 -52.95 13.47 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.286 -1.509 . . . . 0.0 111.142 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.4 m -61.67 -38.32 87.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.597 1.959 . . . . 0.0 115.177 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -50.87 -47.68 60.41 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.1 -11.14 12.5 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.032 2.133 . . . . 0.0 115.766 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -96.11 -41.53 8.68 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.131 -1.606 . . . . 0.0 109.117 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' B' ' 20' ' ' VAL . 22.7 t -68.67 -47.22 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 121.375 -0.828 . . . . 0.0 113.021 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -57.54 -32.19 66.84 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.445 1.498 . . . . 0.0 110.816 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.4 -31.57 62.38 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.525 1.13 . . . . 0.0 113.198 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -67.98 -43.62 78.54 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.724 -1.86 . . . . 0.0 113.638 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 34.8 mtt -53.82 -28.92 38.38 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.288 1.835 . . . . 0.0 114.077 170.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.89 -37.03 24.82 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.17 -62.3 1.44 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.627 -1.296 . . . . 0.0 112.761 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.3 -18.22 53.08 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.252 0.3 OUTLIER 71.09 67.21 0.17 Allowed 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 127.05 2.14 . . . . 0.0 111.459 -178.22 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -59.84 118.39 6.14 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.59 105.22 56.92 Favored Pre-proline 0 N--CA 1.43 -1.441 0 N-CA-C 104.214 -2.513 . . . . 0.0 104.214 168.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -61.71 145.26 97.53 Favored 'Trans proline' 0 C--N 1.3 -2.019 0 N-CA-C 118.923 2.624 . . . . 0.0 118.923 154.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -90.24 144.72 25.59 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 122.73 1.252 . . . . 0.0 110.064 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -81.41 -23.63 37.46 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.184 -2.198 . . . . 0.0 111.949 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 t -56.69 -42.46 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 127.274 2.229 . . . . 0.0 112.253 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.49 68.34 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 128.665 2.786 . . . . 0.0 114.465 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -87.54 -31.32 19.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.913 -1.117 . . . . 0.0 112.044 174.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -81.08 -42.52 20.87 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -173.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' B' ' 56' ' ' LEU . 6.7 tp -67.65 -46.77 71.45 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.166 -1.584 . . . . 0.0 110.9 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.77 -44.62 38.97 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 129.926 3.29 . . . . 0.0 113.265 169.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.38 68.32 1.38 Allowed Glycine 0 N--CA 1.43 -1.706 0 O-C-N 121.326 -0.859 . . . . 0.0 114.057 171.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -61.1 129.05 39.41 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 122.799 1.285 . . . . 0.0 113.561 171.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -67.81 129.7 40.71 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -173.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.1 p -79.77 -54.01 6.25 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.594 HD23 ' H ' ' B' ' 62' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.261 1.683 0 N-CA-C 117.412 2.375 . . . . 0.0 117.412 -175.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.032 0 O4'-C1'-N19 110.606 3.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.895 0 O5'-C5'-C4' 115.18 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 1 O5'-C5'-C4' 116.168 4.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.952 0 O5'-C5'-C4' 115.033 3.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 O4'-C1'-N19 109.914 2.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.84 0 O5'-C5'-C4' 114.457 3.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.011 0 O5'-C5'-C4' 114.931 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.896 0 O4'-C1'-C2' 102.082 -3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.973 0 O4'-C1'-C2' 103.537 -2.33 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.929 0 O4'-C1'-C2' 102.446 -3.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.908 0 O4'-C1'-N19 105.504 -2.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.923 0 O4'-C1'-N19 110.438 3.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 3 O4'-C1'-N19 112.378 5.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 C5'-C4'-C3' 110.654 -2.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.963 0 P-O3'-C3' 123.299 2.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.924 0 C3'-C2'-C1' 98.386 -3.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 C5'-C4'-C3' 111.646 -2.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.928 0 O5'-C5'-C4' 115.021 3.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.961 0 O4'-C1'-C2' 103.125 -2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 OP1-P-OP2 114.4 -3.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O5'-C5'-C4' 114.747 3.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.934 0 OP1-P-OP2 114.788 -3.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.952 1 O4'-C1'-N19 111.144 4.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.017 0 C3'-C2'-C1' 97.915 -3.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.999 0 O4'-C1'-C2' 101.83 -3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 1 O5'-C5'-C4' 115.85 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.916 0 O4'-C1'-C2' 102.198 -3.547 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 1 P-O3'-C3' 124.722 4.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.939 0 P-O5'-C5' 116.204 -2.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.773 0 OP1-P-OP2 115.512 -2.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.924 0 OP1-P-OP2 115.609 -2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.966 0 O4'-C1'-C2' 102.332 -3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.958 0 C3'-C2'-C1' 106.17 2.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.923 1 O4'-C1'-N19 111.07 4.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.982 4 O4'-C1'-N19 115.277 9.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.842 0 C5'-C4'-C3' 109.395 -3.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 OP1-P-OP2 114.991 -3.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 0 O4'-C1'-C2' 102.569 -3.21 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.918 0 O5'-C5'-C4' 113.966 2.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.997 0 O5'-C5'-C4' 114.658 3.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.91 0 O4'-C1'-C2' 102.485 -3.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.96 0 O4'-C1'-N19 110.12 2.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 OP1-P-OP2 114.619 -3.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.855 0 C3'-C2'-C1' 106.014 2.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 CA--C 1.491 -1.324 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -85.49 153.82 58.95 Favored Pre-proline 0 N--CA 1.43 -1.465 0 O-C-N 120.869 -1.144 . . . . 0.0 113.8 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -70.64 130.64 18.58 Favored 'Trans proline' 0 N--CA 1.433 -2.037 0 CA-C-N 122.248 1.839 . . . . 0.0 110.972 144.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.15 163.89 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 106.498 -1.668 . . . . 0.0 106.498 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.1 p -133.03 160.99 35.55 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 176.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -29.56 25.62 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 172.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -70.56 -38.07 74.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.901 2.08 . . . . 0.0 111.907 175.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.38 -38.2 77.91 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.777 1.631 . . . . 0.0 111.171 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 t -64.5 -46.79 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 127.201 2.2 . . . . 0.0 110.816 170.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -51.37 69.92 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.97 -35.2 77.77 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.171 1.388 . . . . 0.0 114.042 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -69.61 -47.55 63.1 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.246 -1.534 . . . . 0.0 113.285 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -77.64 -17.71 57.48 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.973 -1.704 . . . . 0.0 113.326 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.92 45.45 7.66 Favored Glycine 0 N--CA 1.431 -1.682 0 O-C-N 120.333 -1.479 . . . . 0.0 112.271 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -135.79 -178.04 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.77 1.628 . . . . 0.0 110.647 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.0 p -86.86 166.1 15.44 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.52 -1.362 . . . . 0.0 111.85 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.317 21.2 p90 -63.93 -40.47 96.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.585 -1.947 . . . . 0.0 114.741 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -78.52 -9.52 59.36 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.983 -2.323 . . . . 0.0 115.154 173.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.8 m -72.11 -35.22 69.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 123.399 1.571 . . . . 0.0 110.261 171.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HA ' HG11 ' A' ' 38' ' ' VAL . 88.6 t -63.85 -58.81 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 118.797 -2.439 . . . . 0.0 112.938 171.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.2 p -56.96 -31.31 64.86 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.506 2.039 . . . . 0.0 116.506 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -55.91 -29.58 60.28 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.956 1.702 . . . . 0.0 114.168 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.9 t -88.31 -50.76 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 120.839 -1.163 . . . . 0.0 108.831 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.4 t -48.6 -58.32 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 127.993 2.517 . . . . 0.0 115.282 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.58 -4.93 49.99 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 66.07 73.02 0.39 Allowed 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.797 1.639 . . . . 0.0 113.757 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.51 -144.02 0.09 Allowed 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 121.221 -0.924 . . . . 0.0 111.846 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.5 p -118.79 166.4 12.84 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.062 -1.648 . . . . 0.0 111.231 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . 0.27 13.1 t60 49.58 52.05 15.27 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.941 2.097 . . . . 0.0 114.409 -170.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -80.5 114.18 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 121.332 -0.855 . . . . 0.0 110.401 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.1 t -75.43 130.25 38.65 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.579 -1.326 . . . . 0.0 110.313 173.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.6 -36.16 82.91 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.293 1.437 . . . . 0.0 113.446 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -63.07 -52.84 61.15 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.572 -1.955 . . . . 0.0 111.414 174.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.0 m -68.73 -38.0 79.85 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -47.07 -48.79 22.45 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.924 -1.735 . . . . 0.0 115.023 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -71.43 -9.77 58.7 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -87.44 -41.01 13.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.053 1.341 . . . . 0.0 108.284 175.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 20' ' ' VAL . 16.1 t -71.22 -41.49 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 121.061 -1.024 . . . . 0.0 112.578 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -54.91 -37.56 66.5 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.389 1.076 . . . . 0.0 112.412 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.55 75.09 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 121.1 -1.0 . . . . 0.0 113.646 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -68.93 -41.87 77.53 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.765 -1.834 . . . . 0.0 114.036 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 30.7 mtt -54.99 -25.16 28.02 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 126.604 1.962 . . . . 0.0 115.43 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.5 -41.57 14.26 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 122.028 0.918 . . . . 0.0 112.099 -174.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -67.43 -59.88 3.03 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 124.127 1.918 . . . . 0.0 113.105 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.16 -20.75 44.15 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.816 -173.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 72.2 66.81 0.13 Allowed 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 128.372 2.669 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.68 132.57 21.7 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -102.89 102.45 27.32 Favored Pre-proline 0 N--CA 1.43 -1.469 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.59 112.47 1.97 Allowed 'Trans proline' 0 N--CA 1.434 -1.976 0 CA-C-N 122.795 2.034 . . . . 0.0 114.493 153.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -86.86 120.2 27.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.618 1.567 . . . . 0.0 108.39 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -80.75 -18.87 46.33 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.203 -1.561 . . . . 0.0 112.917 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.6 t -62.71 -45.88 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.629 1.571 . . . . 0.0 111.737 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.71 77.61 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 128.113 2.565 . . . . 0.0 113.214 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -63.51 -29.06 70.39 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 126.456 1.903 . . . . 0.0 114.075 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -83.96 -40.26 18.7 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.571 -1.33 . . . . 0.0 112.172 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 56' ' ' LEU . 9.8 tp -68.16 -41.33 81.68 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.737 -1.227 . . . . 0.0 113.642 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.58 89.78 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.327 1.451 . . . . 0.0 110.243 170.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.49 -34.69 3.27 Favored Glycine 0 N--CA 1.43 -1.741 0 N-CA-C 121.649 3.42 . . . . 0.0 121.649 161.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.17 171.4 8.86 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -175.62 76.16 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 m -74.98 78.58 2.18 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 126.346 1.859 . . . . 0.0 115.02 -170.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.26 1.657 0 C-N-CA 125.377 1.471 . . . . 0.0 113.622 178.406 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.5 ttm . . . . . 0 CA--C 1.49 -1.33 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -80.2 160.68 67.6 Favored Pre-proline 0 N--CA 1.43 -1.449 0 O-C-N 120.252 -1.53 . . . . 0.0 114.11 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -73.56 139.59 28.57 Favored 'Trans proline' 0 C--N 1.3 -2.003 0 C-N-CA 123.342 2.694 . . . . 0.0 110.761 143.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 t -131.57 160.84 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.2 p -129.88 163.62 25.93 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.23 -1.544 . . . . 0.0 108.048 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.417 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.9 OUTLIER -51.67 -32.35 29.35 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 171.085 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.417 ' H ' HD23 ' B' ' 6' ' ' LEU . 74.2 m-85 -68.54 -38.51 80.89 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.926 1.691 . . . . 0.0 112.074 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.91 -39.38 76.21 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.287 -1.508 . . . . 0.0 111.174 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 t -62.29 -45.35 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 126.472 1.909 . . . . 0.0 110.826 172.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.5 -54.66 43.16 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.107 1.763 . . . . 0.0 115.511 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -59.96 -37.97 81.13 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 125.053 1.341 . . . . 0.0 113.193 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -68.39 -48.6 64.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 119.36 0.982 . . . . 0.0 112.767 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -75.28 -22.94 57.4 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.355 -2.09 . . . . 0.0 112.217 -175.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.69 41.19 6.49 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 120.459 -1.401 . . . . 0.0 111.888 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.01 -174.07 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 125.107 1.363 . . . . 0.0 109.638 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 84.8 p -90.73 165.26 13.77 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 122.637 1.208 . . . . 0.0 111.331 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . 0.26 17.7 p90 -66.13 -39.28 89.76 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.105 -2.247 . . . . 0.0 114.172 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -74.42 -17.8 60.74 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.978 -1.701 . . . . 0.0 114.585 172.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 55.3 m -67.87 -34.31 76.43 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.791 -1.818 . . . . 0.0 110.777 173.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.434 ' HA ' HG11 ' B' ' 38' ' ' VAL . 72.8 t -63.85 -59.98 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 O-C-N 120.836 -1.165 . . . . 0.0 112.389 170.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -57.61 -32.62 67.39 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -51.75 -31.27 25.98 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.856 1.662 . . . . 0.0 115.016 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.89 -50.16 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.204 -1.56 . . . . 0.0 109.668 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 20' ' ' VAL . 48.9 t -48.5 -58.74 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 127.915 2.486 . . . . 0.0 114.862 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -94.83 -6.66 42.32 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 121.028 -1.045 . . . . 0.0 112.884 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 67.0 83.06 0.17 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.53 1.532 . . . . 0.0 113.569 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.61 -156.97 0.51 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.933 -1.104 . . . . 0.0 110.764 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.1 p -100.83 168.94 9.33 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.727 -1.233 . . . . 0.0 111.231 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . 0.314 7.0 t60 47.68 48.96 16.91 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.744 2.418 . . . . 0.0 115.712 -174.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -75.63 118.78 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 O-C-N 120.709 -1.245 . . . . 0.0 110.873 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.0 t -81.99 129.63 34.84 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.624 -1.922 . . . . 0.0 109.648 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.36 99.59 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.465 1.506 . . . . 0.0 114.398 -176.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -61.22 -49.76 75.82 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.678 1.991 . . . . 0.0 112.924 173.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 21.7 m -64.7 -41.49 95.99 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.943 -1.723 . . . . 0.0 113.975 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -47.25 -50.58 20.93 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.674 -1.891 . . . . 0.0 114.474 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.15 -13.73 62.23 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -85.69 -41.96 14.69 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.719 -1.238 . . . . 0.0 108.733 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' B' ' 20' ' ' VAL . 21.5 t -71.26 -43.15 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.39 0 O-C-N 121.483 -0.76 . . . . 0.0 111.992 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -52.52 -36.17 54.77 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.011 1.325 . . . . 0.0 112.673 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.92 73.1 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.14 -42.5 93.77 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.536 -1.977 . . . . 0.0 114.538 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 33.4 mtt -53.57 -33.61 55.37 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 124.855 1.262 . . . . 0.0 113.621 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.5 37.69 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -173.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.74 -50.99 25.13 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.898 1.809 . . . . 0.0 112.526 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.04 -29.83 34.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.271 1.828 . . . . 0.0 112.476 -176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 75.05 64.61 0.07 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.531 2.332 . . . . 0.0 109.866 -176.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.99 132.35 37.5 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 116.247 1.943 . . . . 0.0 116.247 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 27.6 mm -100.32 103.2 21.76 Favored Pre-proline 0 N--CA 1.43 -1.437 0 C-N-CA 126.801 2.041 . . . . 0.0 106.567 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -63.86 114.14 2.47 Favored 'Trans proline' 0 C--N 1.299 -2.032 0 CA-C-N 123.424 2.259 . . . . 0.0 115.098 153.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -89.89 123.89 34.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.304 1.041 . . . . 0.0 109.47 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -80.88 -21.93 40.23 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.623 -1.923 . . . . 0.0 113.562 -176.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 t -59.38 -46.63 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 126.284 1.834 . . . . 0.0 111.388 172.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.86 70.26 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.916 2.487 . . . . 0.0 113.376 173.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -81.66 -22.78 37.32 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 118.901 -2.375 . . . . 0.0 111.323 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.85 -39.88 12.08 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.551 1.14 . . . . 0.0 113.126 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 56' ' ' LEU . 10.1 tp -68.16 -39.5 82.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.623 -1.923 . . . . 0.0 114.204 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.84 -40.72 75.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.499 1.52 . . . . 0.0 110.04 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.63 -37.34 3.06 Favored Glycine 0 N--CA 1.429 -1.809 0 N-CA-C 121.464 3.346 . . . . 0.0 121.464 162.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.79 170.05 11.54 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -170.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -173.4 79.68 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.745 1.618 . . . . 0.0 106.912 175.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 14.4 m -73.19 69.71 1.08 Allowed 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.426 2.38 . . . . 0.0 117.426 -171.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--O 1.26 1.634 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 178.676 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.85 0 C3'-C2'-C1' 97.241 -3.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.931 0 O4'-C1'-C2' 101.85 -3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.963 0 O5'-C5'-C4' 115.48 3.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.815 0 C1'-O4'-C4' 104.95 -3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.984 1 O5'-C5'-C4' 116.092 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.883 0 O5'-C5'-C4' 115.128 3.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.8 0 O5'-C5'-C4' 113.867 2.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.885 0 O5'-C5'-C4' 115.669 3.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.872 0 O5'-C5'-C4' 113.611 2.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 O5'-C5'-C4' 114.326 2.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.901 0 O5'-C5'-C4' 114.786 3.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.963 0 O4'-C1'-C2' 103.298 -2.547 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.931 3 O4'-C1'-N19 113.567 7.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.004 0 O5'-C5'-C4' 114.589 3.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.975 0 O5'-C5'-C4' 114.315 2.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.842 0 O4'-C1'-C2' 102.12 -3.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.894 0 O5'-C5'-C4' 115.618 3.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 C5'-C4'-C3' 110.117 -3.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.982 0 P-O5'-C5' 115.522 -3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.805 0 OP1-P-OP2 114.235 -3.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.894 1 O4'-C1'-N19 112.206 5.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.901 0 O5'-C5'-C4' 113.806 2.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 0 C3'-C2'-C1' 97.697 -3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.971 0 O4'-C1'-C2' 102.611 -3.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 O5'-C5'-C4' 114.367 2.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 0 O4'-C1'-C2' 102.471 -3.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.955 1 O5'-C5'-C4' 116.072 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.973 0 O5'-C5'-C4' 114.79 3.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 0 O5'-C5'-C4' 115.473 3.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.869 0 O5'-C5'-C4' 115.547 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.925 0 O4'-C1'-C2' 102.949 -2.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.869 0 OP1-P-OP2 115.906 -2.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.865 0 C3'-C2'-C1' 105.938 2.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.801 0 O5'-C5'-C4' 114.647 3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.947 3 O4'-C1'-N19 112.586 5.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 OP1-P-OP2 115.951 -2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 P-O5'-C5' 114.983 -3.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.854 0 O4'-C1'-C2' 102.795 -3.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.976 0 O4'-C1'-N19 110.494 3.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.932 0 O4'-C1'-C2' 103.13 -2.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.884 0 O5'-C5'-C4' 115.263 3.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.848 0 P-O5'-C5' 115.916 -3.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.937 1 O4'-C1'-N19 111.33 4.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.862 0 C5'-C4'-C3' 110.557 -2.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.7 ttp . . . . . 0 CA--C 1.491 -1.314 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -77.66 151.43 79.97 Favored Pre-proline 0 N--CA 1.43 -1.448 0 CA-C-O 116.439 -1.743 . . . . 0.0 115.609 -174.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -80.33 132.53 9.2 Favored 'Trans proline' 0 N--CA 1.434 -2.013 0 CA-C-N 123.408 2.253 . . . . 0.0 110.727 -154.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.06 161.98 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p -122.35 165.36 16.4 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.817 -1.177 . . . . 0.0 110.056 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.4 -33.04 28.53 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.331 2.252 . . . . 0.0 115.525 170.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -72.46 -37.62 68.46 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.547 1.539 . . . . 0.0 112.186 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -72.15 -35.07 68.95 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.38 -1.45 . . . . 0.0 112.379 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 t -67.39 -44.48 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.817 2.447 . . . . 0.0 110.228 170.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -52.55 64.18 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.762 1.625 . . . . 0.0 114.57 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -60.32 -34.98 74.58 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.963 1.705 . . . . 0.0 114.303 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -70.42 -45.95 64.87 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.896 -1.753 . . . . 0.0 113.582 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.81 -24.94 52.77 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.229 -1.544 . . . . 0.0 111.639 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.13 38.09 4.68 Favored Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 125.558 1.551 . . . . 0.0 113.408 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.82 -177.96 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 124.3 1.04 . . . . 0.0 110.561 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.1 t -82.77 155.82 24.03 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 122.564 1.173 . . . . 0.0 110.921 169.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -66.84 -26.52 66.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.812 -1.805 . . . . 0.0 113.214 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -72.35 -35.16 68.46 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.443 -1.411 . . . . 0.0 111.318 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.4 m -61.28 -41.92 97.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.84 1.256 . . . . 0.0 111.641 173.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.78 -52.46 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 173.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -50.57 -44.27 56.66 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.648 1.979 . . . . 0.0 114.908 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 -62.19 -15.51 46.92 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.53 -53.6 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.219 -1.551 . . . . 0.0 110.092 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.2 t -48.21 -55.77 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 131.21 3.804 . . . . 0.0 114.769 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -88.85 6.42 39.19 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.64 -1.288 . . . . 0.0 113.695 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 58.31 74.92 0.41 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 127.725 2.41 . . . . 0.0 115.608 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.05 174.57 7.82 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 121.094 -1.004 . . . . 0.0 111.511 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -71.9 -49.15 40.38 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -75.58 75.46 2.6 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -174.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.629 HG13 ' HG3' ' A' ' 35' ' ' ARG . 39.4 t -122.12 110.61 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 126.292 1.837 . . . . 0.0 109.535 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.0 p -90.1 6.52 42.12 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.772 -1.205 . . . . 0.0 113.595 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.07 -43.53 0.56 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 174.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -40.55 -51.81 2.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 128.807 2.843 . . . . 0.0 114.485 -175.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.7 m -88.43 -37.64 15.67 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 113.827 -1.533 . . . . 0.0 111.503 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.629 ' HG3' HG13 ' A' ' 30' ' ' VAL . 10.2 mmt180 -64.42 -24.88 67.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.733 -1.854 . . . . 0.0 115.476 -173.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -56.71 -28.97 61.93 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 168.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -86.48 -33.62 20.3 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.845 1.258 . . . . 0.0 109.583 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.94 -43.14 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 124.876 1.27 . . . . 0.0 111.888 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.52 -25.57 68.31 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.406 1.082 . . . . 0.0 111.702 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.77 -32.44 40.96 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 123.89 0.876 . . . . 0.0 112.844 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -63.7 -46.05 87.24 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 119.335 -2.103 . . . . 0.0 113.528 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 ptp -64.94 -12.43 49.56 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.69 -1.256 . . . . 0.0 113.349 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.52 -42.25 10.94 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.825 -1.172 . . . . 0.0 112.891 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.65 -58.92 4.58 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-O 123.512 1.625 . . . . 0.0 112.278 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.92 -31.85 71.91 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.527 2.331 . . . . 0.0 113.74 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.256 1.0 OUTLIER 71.24 70.97 0.18 Allowed 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.679 2.392 . . . . 0.0 109.732 -176.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -59.58 139.29 57.29 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.905 1.682 . . . . 0.0 114.816 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -107.88 99.2 29.01 Favored Pre-proline 0 N--CA 1.431 -1.4 0 N-CA-C 104.004 -2.591 . . . . 0.0 104.004 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -62.13 116.13 3.28 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 CA-C-N 122.836 2.049 . . . . 0.0 116.23 155.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -84.92 123.44 30.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.271 1.428 . . . . 0.0 109.818 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.18 -18.84 48.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.508 -2.62 . . . . 0.0 113.412 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.32 -40.64 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 119.275 -2.141 . . . . 0.0 110.241 174.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.53 69.78 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.825 2.45 . . . . 0.0 113.354 173.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -83.42 -23.98 32.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.011 -1.68 . . . . 0.0 113.093 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -84.5 -49.15 8.88 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 -175.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 56' ' ' LEU . 8.1 tp -64.44 -43.76 93.26 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.325 -1.484 . . . . 0.0 112.243 -177.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.68 -44.66 57.85 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.224 3.01 . . . . 0.0 113.288 168.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.66 54.97 1.1 Allowed Glycine 0 N--CA 1.43 -1.742 0 N-CA-C 117.055 1.582 . . . . 0.0 117.055 168.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -59.6 121.33 11.32 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -91.37 147.76 22.8 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.045 1.738 . . . . 0.0 111.569 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.0 t -80.3 124.58 28.96 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.819 -1.176 . . . . 0.0 110.506 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.318 10.9 tp . . . . . 0 C--O 1.26 1.621 0 C-N-CA 128.829 2.852 . . . . 0.0 117.747 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 ttp . . . . . 0 CA--C 1.489 -1.401 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -78.79 156.81 77.32 Favored Pre-proline 0 N--CA 1.43 -1.467 0 CA-C-O 115.649 -2.12 . . . . 0.0 112.266 -175.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -79.89 156.07 23.62 Favored 'Trans proline' 0 C--N 1.3 -1.992 0 CA-C-N 122.386 1.888 . . . . 0.0 108.556 -156.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 t -126.53 170.32 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 28.1 p -129.59 163.04 26.86 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.8 -32.0 29.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.46 1.904 . . . . 0.0 115.367 170.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -71.31 -36.68 71.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.209 1.804 . . . . 0.0 112.413 175.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -75.71 -31.08 59.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.532 -1.355 . . . . 0.0 111.028 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 t -68.07 -47.04 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 126.807 2.043 . . . . 0.0 110.162 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.58 -52.75 62.69 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -58.43 -36.55 73.8 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.112 1.365 . . . . 0.0 114.274 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -70.08 -44.53 68.9 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.677 -1.264 . . . . 0.0 113.868 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -77.62 -18.83 56.39 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.197 -2.189 . . . . 0.0 112.998 -177.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.31 16.18 Favored Glycine 0 N--CA 1.429 -1.769 0 C-N-CA 125.948 1.737 . . . . 0.0 113.937 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.1 m -122.34 -174.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 125.344 1.457 . . . . 0.0 110.782 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.3 t -92.66 154.71 18.19 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.295 1.038 . . . . 0.0 110.056 171.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -59.4 -31.17 69.01 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 126.804 2.042 . . . . 0.0 114.413 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -69.89 -33.72 72.59 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 120.339 -1.475 . . . . 0.0 111.617 174.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -65.86 -42.84 89.88 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.532 1.533 . . . . 0.0 110.869 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.72 -51.87 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 125.465 1.506 . . . . 0.0 114.387 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.0 t -51.99 -40.87 61.63 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.861 1.664 . . . . 0.0 114.872 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -67.36 -8.28 31.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.41 -54.08 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 119.552 -1.968 . . . . 0.0 109.098 174.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.0 t -46.7 -55.06 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 130.289 3.436 . . . . 0.0 114.501 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -90.95 13.54 16.33 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.089 -2.257 . . . . 0.0 113.524 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 53.66 77.02 0.19 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.553 2.341 . . . . 0.0 114.45 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.83 179.0 7.12 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-O 122.67 1.224 . . . . 0.0 111.288 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -82.38 -45.39 14.92 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.214 -1.554 . . . . 0.0 112.665 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -74.55 71.42 1.85 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.656 HG13 ' HG3' ' B' ' 35' ' ' ARG . 25.2 t -117.68 108.86 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 125.864 1.665 . . . . 0.0 110.72 174.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.3 p -87.76 8.08 27.35 Favored 'General case' 0 N--CA 1.428 -1.537 0 O-C-N 120.434 -1.416 . . . . 0.0 114.456 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.87 -47.61 0.65 Allowed 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 119.734 3.235 . . . . 0.0 119.734 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -42.59 -53.04 4.59 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.768 2.427 . . . . 0.0 114.309 -173.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 12.4 m -87.27 -35.56 18.41 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.699 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.656 ' HG3' HG13 ' B' ' 30' ' ' VAL . 11.2 mmt180 -65.3 -27.88 68.93 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.385 -2.072 . . . . 0.0 114.495 -174.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -54.46 -28.28 43.41 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 169.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -89.08 -33.25 17.18 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.741 1.616 . . . . 0.0 109.958 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 44.6 t -64.43 -43.72 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 124.222 1.009 . . . . 0.0 111.903 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.05 -31.54 70.08 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.625 1.17 . . . . 0.0 111.909 175.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.92 67.85 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.895 -1.128 . . . . 0.0 112.307 172.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -62.09 -49.21 76.83 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.499 -2.001 . . . . 0.0 114.296 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 3.1 ptp -63.33 -16.36 60.16 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 124.439 1.096 . . . . 0.0 113.096 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.65 -44.6 11.72 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 124.353 1.061 . . . . 0.0 113.306 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.11 -56.52 16.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 123.438 1.59 . . . . 0.0 113.444 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.14 -27.58 63.66 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.79 2.036 . . . . 0.0 113.353 -177.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.87 67.28 0.23 Allowed 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 128.488 2.715 . . . . 0.0 109.924 -176.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -57.07 137.31 55.94 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.799 2.039 . . . . 0.0 114.578 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -108.44 99.7 34.16 Favored Pre-proline 0 N--CA 1.429 -1.485 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -64.29 112.74 1.99 Allowed 'Trans proline' 0 C--N 1.3 -1.995 0 N-CA-C 116.678 1.761 . . . . 0.0 116.678 158.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -83.75 128.96 34.91 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.111 1.364 . . . . 0.0 112.146 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -83.23 -26.5 30.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.958 -1.714 . . . . 0.0 113.52 -173.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.81 -40.18 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 O-C-N 119.847 -1.783 . . . . 0.0 110.488 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.35 68.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 128.066 2.547 . . . . 0.0 113.226 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -86.49 -25.79 24.95 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.233 -1.542 . . . . 0.0 112.973 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.99 -46.78 12.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 tp -66.11 -40.05 90.43 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 120.05 1.296 . . . . 0.0 111.848 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.67 -39.38 73.68 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.115 2.966 . . . . 0.0 113.16 170.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.75 53.9 2.16 Favored Glycine 0 N--CA 1.43 -1.736 0 N-CA-C 118.854 2.301 . . . . 0.0 118.854 170.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -56.71 127.68 32.72 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -97.31 147.4 24.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.255 1.022 . . . . 0.0 109.839 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 13.7 t -82.33 114.28 20.7 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.024 -1.673 . . . . 0.0 111.967 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.3 tp . . . . . 0 C--O 1.26 1.638 0 C-N-CA 126.055 1.742 . . . . 0.0 113.312 177.281 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.982 0 C3'-C2'-C1' 97.998 -3.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.981 0 O4'-C1'-C2' 103.149 -2.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.957 0 C4'-C3'-O3' 117.125 3.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.929 1 P-O3'-C3' 132.81 10.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.004 1 OP1-P-OP2 113.348 -4.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.901 3 O5'-C5'-C4' 116.184 4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 0 O5'-C5'-C4' 114.936 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.895 0 O5'-C5'-C4' 115.094 3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.838 1 O4'-C1'-C2' 101.638 -4.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.884 0 O4'-C1'-C2' 102.005 -3.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.886 0 C4'-C3'-C2' 99.893 -3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.94 0 P-O3'-C3' 123.103 2.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 2 O4'-C1'-N19 113.235 6.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.884 0 P-O5'-C5' 116.634 -2.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.907 0 O5'-C5'-C4' 115.04 3.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.055 0 O5'-C5'-C4' 114.929 3.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 O5'-C5'-C4' 114.972 3.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.437 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.538 1.961 0 OP1-P-OP2 114.936 -3.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.437 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.538 1.995 0 O5'-C5'-C4' 113.807 2.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.941 1 O4'-C1'-N19 111.175 4.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.852 0 O5'-C5'-C4' 113.923 2.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.977 0 O5'-C5'-C4' 113.429 2.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.867 0 O4'-C1'-C2' 103.009 -2.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.009 0 O4'-C1'-C2' 102.59 -3.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 O4'-C1'-C2' 102.504 -3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.895 1 O4'-C1'-C2' 101.517 -4.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.798 0 OP1-P-OP2 113.984 -3.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.84 1 O5'-C5'-C4' 115.872 4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.831 0 OP1-P-OP2 114.371 -3.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.92 0 O5'-C5'-C4' 114.044 2.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.899 0 O4'-C1'-C2' 102.251 -3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.868 0 O4'-C1'-C2' 102.616 -3.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 C4'-C3'-C2' 99.481 -3.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.778 0 P-O3'-C3' 122.409 2.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 1 O4'-C1'-N19 113.493 7.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 C5'-C4'-C3' 109.222 -3.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.903 0 OP1-P-OP2 115.349 -2.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.818 0 O4'-C1'-C2' 102.471 -3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 OP1-P-OP2 115.528 -2.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.991 0 O5'-C5'-C4' 114.256 2.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.868 0 O5'-C5'-C4' 114.424 3.017 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.936 0 O4'-C1'-N19 110.628 3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 O4'-C1'-N19 110.512 3.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.852 0 O5'-C5'-C4' 114.403 3.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo . . . . . 0 N--CA 1.434 -2.021 0 N-CA-C 118.454 2.444 . . . . 0.0 118.454 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -128.85 166.52 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 129.471 3.109 . . . . 0.0 103.182 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.5 p -123.38 158.89 30.08 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.36 -1.463 . . . . 0.0 110.194 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -48.84 -32.73 9.27 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.249 1.82 . . . . 0.0 115.347 168.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -71.65 -40.67 69.53 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.734 1.614 . . . . 0.0 111.964 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -65.04 -42.93 93.88 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.55 1.54 . . . . 0.0 110.562 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 9' ' ' VAL . 7.1 t -63.45 -44.7 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.705 -1.872 . . . . 0.0 113.048 173.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.37 77.92 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.291 1.436 . . . . 0.0 114.058 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.49 -42.42 92.1 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 126.296 1.838 . . . . 0.0 112.959 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -64.82 -52.14 58.36 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.008 -1.682 . . . . 0.0 112.989 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -72.61 -17.17 61.71 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.611 -1.931 . . . . 0.0 113.134 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.16 34.86 16.43 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 126.308 1.909 . . . . 0.0 113.151 177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.98 -170.0 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.798 1.639 . . . . 0.0 111.489 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 t -93.89 163.01 13.68 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.388 -1.445 . . . . 0.0 108.77 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -72.68 -24.87 61.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.329 -2.107 . . . . 0.0 112.557 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -78.17 -24.76 47.11 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 121.023 -1.048 . . . . 0.0 110.973 172.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -65.58 -43.49 89.58 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.435 -1.416 . . . . 0.0 110.087 172.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.449 ' HA ' HG11 ' A' ' 38' ' ' VAL . 71.5 t -59.18 -59.2 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.562 1.545 . . . . 0.0 113.828 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.6 p -59.33 -21.4 59.72 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.471 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -59.41 -38.14 79.81 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.292 -1.505 . . . . 0.0 113.703 168.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.9 -44.76 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.799 -1.188 . . . . 0.0 110.386 -174.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 t -65.0 -62.07 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.891 2.476 . . . . 0.0 114.082 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -104.58 21.15 17.3 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.622 1.969 . . . . 0.0 115.913 -174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 60.01 58.83 2.59 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 118.465 2.765 . . . . 0.0 118.465 169.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -90.4 -171.39 3.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.647 -1.283 . . . . 0.0 110.846 174.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 m -108.34 -64.93 1.17 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -84.71 74.95 10.37 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -164.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -126.29 -100.22 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 124.714 1.206 . . . . 0.0 107.864 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 81.2 p 178.59 170.49 0.82 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.978 2.511 . . . . 0.0 107.607 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.78 -27.03 23.83 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.967 -1.083 . . . . 0.0 110.594 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -58.53 -58.7 7.37 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.326 2.25 . . . . 0.0 113.101 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -72.54 -29.25 63.41 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.743 1.217 . . . . 0.0 113.291 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -43.65 -54.48 4.99 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.23 -17.55 64.59 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.962 2.105 . . . . 0.0 116.508 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -81.61 -36.35 29.02 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.088 -1.632 . . . . 0.0 108.393 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.449 HG11 ' HA ' ' A' ' 20' ' ' VAL . 19.3 t -65.3 -40.98 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 111.27 171.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.24 -30.0 64.26 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.88 -34.5 73.64 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.331 1.452 . . . . 0.0 113.139 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -70.7 -42.83 70.12 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.5 mtt -50.77 -35.13 30.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.58 -29.87 52.26 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -78.78 -65.95 0.92 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.772 1.229 . . . . 0.0 112.981 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -21.64 59.61 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.201 1.4 . . . . 0.0 113.027 -173.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.96 71.16 0.11 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.936 2.894 . . . . 0.0 110.511 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -64.23 111.04 2.42 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.78 106.47 58.81 Favored Pre-proline 0 N--CA 1.43 -1.432 1 N-CA-C 99.632 -4.21 . . . . 0.0 99.632 168.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -66.97 162.3 38.66 Favored 'Trans proline' 0 N--CA 1.434 -2.016 0 C-N-CA 122.859 2.373 . . . . 0.0 117.316 156.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.6 125.05 35.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.491 1.516 . . . . 0.0 109.994 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -70.07 -23.21 63.04 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.786 -1.196 . . . . 0.0 111.639 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.19 -43.73 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 126.205 1.802 . . . . 0.0 112.462 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.61 92.75 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.523 2.329 . . . . 0.0 112.425 172.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -63.59 -26.2 68.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.436 1.894 . . . . 0.0 113.741 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -88.56 -46.87 8.73 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.047 -1.658 . . . . 0.0 112.702 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 56' ' ' LEU . 11.6 tp -63.6 -45.94 88.07 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.469 -1.395 . . . . 0.0 114.712 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.58 36.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.743 0 C-N-CA 127.322 2.391 . . . . 0.0 117.822 -175.657 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo . . . . . 0 N--CA 1.433 -2.039 0 N-CA-C 118.477 2.453 . . . . 0.0 118.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 24.7 t -128.38 166.06 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 103.087 -2.931 . . . . 0.0 103.087 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.7 p -125.15 161.12 27.54 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.618 -1.926 . . . . 0.0 109.925 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -49.07 -31.55 8.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 127.022 2.129 . . . . 0.0 116.096 169.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -75.85 -32.09 59.61 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.218 1.807 . . . . 0.0 112.394 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -72.05 -40.65 68.2 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.769 2.028 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 t -66.14 -45.08 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.944 2.098 . . . . 0.0 112.625 172.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.94 79.58 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.172 1.389 . . . . 0.0 114.555 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.04 -41.32 78.42 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.464 1.906 . . . . 0.0 114.195 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.7 -47.57 66.09 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.243 -1.535 . . . . 0.0 113.45 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -75.36 -18.92 59.85 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.304 -1.497 . . . . 0.0 113.473 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.32 32.39 19.94 Favored Glycine 0 N--CA 1.43 -1.704 0 O-C-N 120.327 -1.483 . . . . 0.0 112.875 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -123.57 -174.51 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.992 1.317 . . . . 0.0 111.697 -176.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.4 t -90.78 164.18 14.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.514 -1.366 . . . . 0.0 109.967 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -74.12 -23.4 59.3 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.595 -2.565 . . . . 0.0 113.371 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -78.71 -21.68 47.74 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.139 0.976 . . . . 0.0 111.559 172.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -67.82 -46.88 70.61 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.798 -1.189 . . . . 0.0 110.403 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.478 ' HA ' HG11 ' B' ' 38' ' ' VAL . 69.9 t -56.13 -58.5 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 126.156 1.782 . . . . 0.0 113.707 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 81.1 p -62.27 -19.4 63.19 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.514 ' HA ' ' HB3' ' B' ' 27' ' ' ALA . 0.0 OUTLIER -62.1 -36.71 82.54 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.338 -0.851 . . . . 0.0 112.943 167.5 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.25 -47.24 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 123.282 1.515 . . . . 0.0 109.981 -174.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.25 -65.54 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 128.717 2.807 . . . . 0.0 114.241 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -104.32 25.85 9.62 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -173.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 55.48 66.12 1.3 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 170.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' B' ' 22' ' ' ARG . . . -98.14 -172.8 2.43 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.71 -1.244 . . . . 0.0 110.825 175.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.3 m -102.17 -73.37 0.66 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -80.07 79.53 6.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.065 2.987 . . . . 0.0 119.065 -162.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.21 -96.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 96.0 p 175.27 167.8 0.32 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 127.27 2.228 . . . . 0.0 107.053 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.73 -26.89 27.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.483 -1.385 . . . . 0.0 111.049 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.423 ' H ' ' HG3' ' B' ' 33' ' ' LYS . 1.4 mtpm? -57.65 -60.58 3.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.191 2.596 . . . . 0.0 112.616 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 24.5 m -72.05 -28.92 63.66 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.679 -1.263 . . . . 0.0 114.169 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 42.1 ttp85 -44.02 -53.53 6.21 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.532 1.933 . . . . 0.0 115.134 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.52 -19.1 64.5 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.1 -35.24 25.79 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.024 -1.673 . . . . 0.0 108.953 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.478 HG11 ' HA ' ' B' ' 20' ' ' VAL . 14.1 t -65.86 -40.06 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.493 -1.379 . . . . 0.0 112.555 170.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -57.81 -26.97 62.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.2 -40.15 68.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.661 1.184 . . . . 0.0 111.967 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.5 -44.85 85.76 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.328 -2.107 . . . . 0.0 114.61 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 44.9 mtt -51.11 -29.95 14.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.019 2.127 . . . . 0.0 116.104 171.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.09 -37.73 23.43 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.459 1.504 . . . . 0.0 112.698 -173.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.2 -63.44 1.11 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.479 1.133 . . . . 0.0 112.943 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -22.35 50.21 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.299 1.047 . . . . 0.0 112.531 -173.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . 0.413 ' O ' HD12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 72.56 71.21 0.14 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.501 1.921 . . . . 0.0 109.773 179.365 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.46 115.03 4.26 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.413 HD12 ' O ' ' B' ' 46' ' ' ASN . 3.9 mp -108.56 108.05 60.62 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 100.757 -3.794 . . . . 0.0 100.757 167.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -68.38 158.65 56.68 Favored 'Trans proline' 0 C--N 1.3 -2.008 0 C-N-CA 123.287 2.658 . . . . 0.0 117.666 156.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -89.12 120.72 30.76 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 113.512 -1.676 . . . . 0.0 108.301 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -66.64 -24.7 66.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.602 -1.311 . . . . 0.0 112.267 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.54 -45.47 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.725 1.61 . . . . 0.0 112.045 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.13 80.04 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.477 2.311 . . . . 0.0 112.712 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -69.83 -23.89 63.37 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.704 -1.873 . . . . 0.0 113.265 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -91.6 -43.04 9.87 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.872 -2.393 . . . . 0.0 114.003 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 56' ' ' LEU . 12.1 tp -62.1 -52.11 65.2 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.411 -1.431 . . . . 0.0 113.048 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.87 -17.25 51.27 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.73 0 C-N-CA 127.899 2.666 . . . . 0.0 118.762 -176.705 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo . . . . . 0 N--CA 1.434 -1.975 0 N-CA-C 120.864 3.371 . . . . 0.0 120.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.2 t -128.52 167.31 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.9 p -137.27 162.78 32.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.826 -1.796 . . . . 0.0 107.572 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.74 -30.03 42.4 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 171.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -69.09 -39.27 79.11 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 127.392 2.277 . . . . 0.0 112.873 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -69.56 -38.37 77.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.986 1.314 . . . . 0.0 110.89 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.03 -45.31 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.538 2.335 . . . . 0.0 111.198 172.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.55 -55.04 39.92 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.936 1.694 . . . . 0.0 114.368 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.38 -36.97 76.77 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.664 1.586 . . . . 0.0 114.031 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -66.49 -49.78 65.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.123 0.969 . . . . 0.0 112.531 173.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -74.05 -27.1 60.76 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.987 -1.696 . . . . 0.0 113.008 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.39 29.05 6.48 Favored Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 125.934 1.73 . . . . 0.0 114.124 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.07 -170.53 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 125.134 1.374 . . . . 0.0 111.467 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 t -92.89 160.51 14.88 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.793 1.282 . . . . 0.0 108.737 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -66.21 -32.66 74.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.493 -2.005 . . . . 0.0 113.104 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -76.5 -18.23 58.85 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 121.087 -1.008 . . . . 0.0 112.298 173.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.2 m -67.73 -45.58 74.59 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.369 -1.457 . . . . 0.0 110.369 173.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 24' ' ' VAL . 94.3 t -55.27 -58.16 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 C-N-CA 125.666 1.586 . . . . 0.0 115.25 178.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.8 p -58.14 -31.22 66.99 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.7 -17.08 64.45 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -90.56 -55.77 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.854 -1.778 . . . . 0.0 108.113 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 20' ' ' VAL . 60.6 t -49.63 -50.93 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 129.368 3.067 . . . . 0.0 114.831 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -98.84 12.19 36.48 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.859 1.264 . . . . 0.0 112.44 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 56.09 74.7 0.37 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 127.162 2.185 . . . . 0.0 116.318 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.92 175.27 5.67 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.723 1.209 . . . . 0.0 110.574 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 m -72.09 -77.38 0.1 Allowed 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -73.81 63.05 0.86 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 119.212 3.042 . . . . 0.0 119.212 -168.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 t -131.39 110.63 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.677 -1.265 . . . . 0.0 107.594 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -63.06 145.43 55.46 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.026 1.33 . . . . 0.0 113.07 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.84 -42.8 37.52 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 126.438 1.895 . . . . 0.0 115.995 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -54.83 -36.9 65.49 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.457 1.903 . . . . 0.0 113.979 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 m -75.69 -49.67 17.64 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.474 -1.391 . . . . 0.0 110.788 175.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -53.71 -44.63 69.97 Favored 'General case' 0 CA--C 1.489 -1.381 0 O-C-N 120.799 -1.188 . . . . 0.0 113.743 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -58.13 -22.29 50.31 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -92.1 -39.16 11.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.033 1.333 . . . . 0.0 109.162 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 t -67.93 -41.26 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 119.731 -1.856 . . . . 0.0 113.002 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -65.54 -17.71 64.77 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.62 -1.3 . . . . 0.0 114.085 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.82 -34.37 45.34 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 124.592 1.157 . . . . 0.0 110.7 170.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -67.43 -45.05 77.2 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.06 -1.65 . . . . 0.0 113.69 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.4 mtt -53.55 -30.64 42.9 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.188 1.395 . . . . 0.0 113.961 168.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.37 -28.67 26.82 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -78.28 -55.87 4.91 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 124.417 2.056 . . . . 0.0 110.031 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -79.17 -12.99 59.99 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 113.456 -1.702 . . . . 0.0 114.972 -174.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.417 0.6 OUTLIER 56.45 47.81 18.1 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.444 2.697 . . . . 0.0 114.869 -177.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -37.16 114.52 0.33 Allowed 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.432 2.293 . . . . 0.0 116.395 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.75 106.95 30.76 Favored Pre-proline 0 N--CA 1.43 -1.453 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -46.65 132.51 16.58 Favored 'Trans proline' 0 N--CA 1.434 -2.012 0 N-CA-C 120.201 3.116 . . . . 0.0 120.201 157.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -88.05 103.24 15.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -72.45 -13.07 61.35 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.449 -2.032 . . . . 0.0 114.68 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 t -75.66 -42.15 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.883 2.073 . . . . 0.0 110.332 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.35 -30.79 71.43 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.216 2.206 . . . . 0.0 112.942 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -79.6 -16.31 56.09 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.117 -1.614 . . . . 0.0 112.997 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -89.79 -51.17 5.64 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.612 -1.305 . . . . 0.0 111.606 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tp -61.31 -55.0 36.75 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 124.909 1.284 . . . . 0.0 113.788 -175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.83 -5.73 45.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.732 0 C-N-CA 128.288 2.852 . . . . 0.0 119.738 -175.533 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo . . . . . 0 N--CA 1.434 -2.006 0 N-CA-C 117.477 2.068 . . . . 0.0 117.477 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 t -137.0 165.97 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 103.055 -2.943 . . . . 0.0 103.055 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 48.5 p -136.78 163.65 30.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.148 -1.595 . . . . 0.0 107.513 174.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.98 -28.24 50.16 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 170.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -69.13 -37.61 78.41 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 126.979 2.112 . . . . 0.0 113.427 174.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -70.13 -42.28 72.81 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.141 1.776 . . . . 0.0 110.019 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.04 -47.27 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.032 2.133 . . . . 0.0 110.529 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -54.29 44.16 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.576 1.55 . . . . 0.0 114.119 175.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.9 -35.41 79.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -63.8 -50.55 68.5 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.813 0.845 . . . . 0.0 112.969 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -76.48 -29.88 57.05 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 121.314 -0.866 . . . . 0.0 112.473 -174.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.8 43.41 2.66 Favored Glycine 0 N--CA 1.43 -1.735 0 C-N-CA 124.892 1.234 . . . . 0.0 112.521 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.43 -164.4 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 125.463 1.505 . . . . 0.0 108.873 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -102.96 168.92 8.89 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.403 -1.435 . . . . 0.0 108.769 173.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -70.8 -34.61 71.94 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 118.982 -2.324 . . . . 0.0 112.481 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.39 -20.62 60.7 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 123.379 0.672 . . . . 0.0 112.271 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -66.31 -49.59 66.52 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.287 -1.508 . . . . 0.0 110.675 174.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.434 ' O ' HG23 ' B' ' 24' ' ' VAL . 96.1 t -52.27 -60.07 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.4 p -59.28 -29.57 67.68 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.13 -16.49 64.03 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.752 -1.217 . . . . 0.0 114.049 172.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -89.55 -56.35 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.989 -1.694 . . . . 0.0 108.263 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 20' ' ' VAL . 45.6 t -49.28 -53.52 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 129.159 2.984 . . . . 0.0 115.666 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -92.43 -1.68 56.83 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.237 -1.54 . . . . 0.0 111.899 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 67.24 76.69 0.28 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 127.616 2.366 . . . . 0.0 115.891 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.0 -175.62 3.2 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.352 1.461 . . . . 0.0 111.04 173.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.8 m -82.68 -72.93 0.42 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 -173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -76.77 65.28 2.48 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -168.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -134.61 109.88 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 170.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.0 t -63.0 142.75 58.26 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.808 1.243 . . . . 0.0 112.075 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.16 -44.88 8.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.852 2.461 . . . . 0.0 116.538 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -56.4 -36.6 69.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 126.979 2.112 . . . . 0.0 114.189 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.6 m -75.2 -49.56 19.04 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.653 -1.279 . . . . 0.0 110.325 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 -53.01 -44.89 67.61 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.484 -1.385 . . . . 0.0 113.824 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -57.09 -23.9 50.17 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -91.88 -36.89 13.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.86 1.264 . . . . 0.0 109.229 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.18 -44.13 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 O-C-N 120.588 -1.32 . . . . 0.0 111.648 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.31 -26.48 68.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 112.28 176.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.42 -32.7 66.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.344 -1.473 . . . . 0.0 112.09 170.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -69.99 -40.81 75.1 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.441 -1.412 . . . . 0.0 114.067 177.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 32.0 mtt -55.09 -35.27 64.4 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.18 1.392 . . . . 0.0 113.361 168.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.12 -29.38 38.93 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -171.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -78.82 -52.39 8.41 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-O 124.308 2.004 . . . . 0.0 111.022 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -80.57 -19.0 46.61 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 113.579 -1.646 . . . . 0.0 113.903 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.519 0.5 OUTLIER 61.02 57.91 2.42 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.255 2.222 . . . . 0.0 113.394 -175.251 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -48.31 115.24 1.14 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.088 2.155 . . . . 0.0 116.078 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mp -93.88 114.4 63.01 Favored Pre-proline 0 N--CA 1.43 -1.437 0 N-CA-C 103.716 -2.698 . . . . 0.0 103.716 173.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -55.85 132.96 55.16 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 C-N-CA 123.542 2.828 . . . . 0.0 116.607 154.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -91.0 105.11 17.6 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 170.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -71.95 -18.6 62.0 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.357 -2.089 . . . . 0.0 114.118 -172.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 19.4 t -68.66 -40.39 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 126.503 1.921 . . . . 0.0 111.245 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.19 77.83 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.153 2.181 . . . . 0.0 113.165 172.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.01 -20.62 60.27 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.854 -1.779 . . . . 0.0 113.032 174.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -86.04 -54.36 4.53 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.62 -1.3 . . . . 0.0 111.95 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 56' ' ' LEU . 10.1 tp -58.65 -49.57 77.04 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -175.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.72 59.79 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.728 0 C-N-CA 128.153 2.787 . . . . 0.0 118.881 -170.788 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 N--CA 1.434 -2.011 0 N-CA-C 118.405 2.425 . . . . 0.0 118.405 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.6 t -137.33 165.87 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 N-CA-C 101.311 -3.589 . . . . 0.0 101.311 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.8 p -130.2 161.87 30.18 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 119.724 1.147 . . . . 0.0 108.833 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 7' ' ' TYR . 1.1 pt? -48.57 -35.6 13.78 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.395 1.878 . . . . 0.0 115.12 171.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.421 ' H ' HD23 ' A' ' 6' ' ' LEU . 72.9 m-85 -67.58 -39.75 84.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.325 2.25 . . . . 0.0 112.755 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -70.85 -38.14 73.16 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.699 -1.25 . . . . 0.0 111.712 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.16 -45.61 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 C-N-CA 126.468 1.907 . . . . 0.0 110.825 172.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -55.31 35.1 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.633 1.573 . . . . 0.0 114.82 174.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.98 -28.9 69.83 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -69.45 -51.27 37.78 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.09 -1.006 . . . . 0.0 112.076 172.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -73.71 -18.91 60.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.319 -1.488 . . . . 0.0 113.142 -177.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.06 44.81 6.16 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 125.861 1.696 . . . . 0.0 111.754 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.61 178.44 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 125.191 1.396 . . . . 0.0 110.824 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.2 t -80.68 158.79 25.48 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.699 -1.251 . . . . 0.0 110.619 173.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -67.46 -31.34 71.44 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.936 -1.728 . . . . 0.0 113.985 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -77.28 -15.79 59.28 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.005 -1.684 . . . . 0.0 112.086 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.5 m -68.85 -41.53 78.34 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.441 -2.037 . . . . 0.0 110.002 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.81 -56.16 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.184 1.393 . . . . 0.0 113.91 174.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -61.42 -27.49 68.58 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -72.29 -11.51 60.74 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 125.617 1.567 . . . . 0.0 113.781 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -99.84 -49.19 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 119.415 -2.053 . . . . 0.0 109.696 170.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.98 -57.49 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 C-N-CA 127.869 2.468 . . . . 0.0 114.109 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -108.95 -58.5 2.01 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.767 -1.208 . . . . 0.0 112.632 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -93.96 60.21 2.84 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 122.793 1.282 . . . . 0.0 113.394 -172.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.14 90.29 0.87 Allowed 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 118.797 2.888 . . . . 0.0 118.797 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.0 p -162.4 145.51 11.42 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.932 1.293 . . . . 0.0 108.322 170.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 58.29 41.31 23.51 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.097 1.359 . . . . 0.0 113.025 -170.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.56 131.35 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 121.042 -1.036 . . . . 0.0 111.514 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -84.75 119.01 24.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.496 -1.378 . . . . 0.0 109.468 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.78 -38.91 83.16 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.281 1.832 . . . . 0.0 115.226 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -63.78 -51.33 65.28 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.959 1.704 . . . . 0.0 111.221 176.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -61.92 -45.79 92.15 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.106 2.162 . . . . 0.0 115.017 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -42.79 -54.51 4.08 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.12 -12.02 60.16 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -88.03 -40.67 13.66 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.824 -1.797 . . . . 0.0 108.946 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.1 t -75.49 -37.57 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.45 -1.406 . . . . 0.0 112.013 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -63.8 -23.21 67.27 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.135 -1.603 . . . . 0.0 112.72 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.96 62.47 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.689 -1.257 . . . . 0.0 112.456 171.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -67.19 -42.88 83.47 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.936 -1.727 . . . . 0.0 114.555 176.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.2 mtt -50.27 -33.45 19.87 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.992 2.117 . . . . 0.0 114.755 168.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.35 -39.09 59.7 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.68 -59.45 2.71 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -22.19 42.63 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.778 1.231 . . . . 0.0 113.569 -174.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 73.71 66.73 0.1 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.494 2.317 . . . . 0.0 112.03 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.66 126.3 26.1 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.8 mm -100.62 113.5 65.59 Favored Pre-proline 0 N--CA 1.43 -1.452 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -54.47 113.17 1.24 Allowed 'Trans proline' 0 N--CA 1.434 -2.007 0 CA-C-N 123.741 2.372 . . . . 0.0 114.569 149.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -84.62 125.7 32.7 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -76.97 -39.12 51.69 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.641 -1.912 . . . . 0.0 112.568 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.517 HG13 HG13 ' B' ' 52' ' ' VAL . 14.4 t -56.78 -43.53 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.963 2.505 . . . . 0.0 112.231 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.53 -28.59 68.54 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.472 2.709 . . . . 0.0 114.167 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -89.4 -17.37 28.93 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.63 -1.918 . . . . 0.0 110.67 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -88.16 -45.76 9.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.43 ' HA ' HD12 ' A' ' 56' ' ' LEU . 10.2 tp -65.33 -42.37 93.02 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 121.263 1.847 . . . . 0.0 114.359 -176.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.05 -79.78 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.469 2.708 . . . . 0.0 108.422 169.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.696 1 N-CA-C 124.167 4.427 . . . . 0.0 124.167 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo . . . . . 0 N--CA 1.434 -1.982 0 N-CA-C 118.638 2.515 . . . . 0.0 118.638 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 29.9 t -137.96 163.01 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 N-CA-C 101.999 -3.334 . . . . 0.0 101.999 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.9 p -127.68 162.7 25.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 120.448 1.476 . . . . 0.0 108.936 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.409 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.9 OUTLIER -51.47 -33.52 31.56 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.065 1.746 . . . . 0.0 115.25 172.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.409 ' H ' HD23 ' B' ' 6' ' ' LEU . 71.0 m-85 -68.74 -39.38 80.38 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 127.119 2.168 . . . . 0.0 112.636 176.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.53 -38.17 77.41 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.575 1.55 . . . . 0.0 111.835 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.95 -42.73 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.195 2.198 . . . . 0.0 110.599 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.88 71.99 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.87 -33.56 76.12 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.085 -1.634 . . . . 0.0 114.479 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -67.44 -47.2 70.87 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.075 -2.266 . . . . 0.0 113.324 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -76.72 -19.74 57.34 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.44 -2.038 . . . . 0.0 113.061 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.28 35.23 7.61 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 125.464 1.507 . . . . 0.0 112.092 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m -125.09 179.95 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.262 1.425 . . . . 0.0 110.956 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -84.24 160.34 20.8 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.831 1.252 . . . . 0.0 110.316 173.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -70.02 -33.14 71.62 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.479 -2.013 . . . . 0.0 114.614 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -73.55 -19.02 61.01 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.645 -1.284 . . . . 0.0 112.208 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.2 m -66.32 -42.87 87.58 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.064 -1.647 . . . . 0.0 110.772 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.14 -54.65 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.255 1.422 . . . . 0.0 113.944 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 77.3 p -62.93 -24.8 68.03 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.277 1.954 . . . . 0.0 116.277 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -77.13 -6.24 52.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.861 1.265 . . . . 0.0 113.679 173.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 47.2 t -101.08 -49.86 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 119.609 -1.932 . . . . 0.0 108.332 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.6 -60.49 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 127.775 2.43 . . . . 0.0 113.971 -174.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -106.08 -59.34 1.79 Allowed 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 121.078 -1.013 . . . . 0.0 112.766 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -89.94 56.73 3.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.65 -1.281 . . . . 0.0 113.405 -172.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.74 87.05 0.34 Allowed 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 118.581 2.808 . . . . 0.0 118.581 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.0 p -159.85 144.7 15.07 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.305 1.442 . . . . 0.0 108.426 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 58.63 39.15 24.92 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.616 1.566 . . . . 0.0 112.578 -169.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -75.98 131.1 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 O-C-N 120.302 -1.499 . . . . 0.0 112.821 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 27.0 t -82.66 115.81 21.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.072 -1.643 . . . . 0.0 109.328 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -34.81 70.43 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 117.096 2.258 . . . . 0.0 117.096 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -68.68 -48.01 65.02 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.819 1.647 . . . . 0.0 111.6 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 11.8 m -65.08 -44.05 90.2 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.956 1.703 . . . . 0.0 114.145 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -42.24 -54.68 3.6 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.299 1.962 . . . . 0.0 116.299 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.46 -16.46 63.66 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -84.23 -43.3 15.02 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.84 1.305 . . . . 0.0 108.787 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 t -70.79 -40.5 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 120.63 -1.294 . . . . 0.0 112.619 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -65.15 -20.31 66.39 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 121.224 -0.923 . . . . 0.0 112.921 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.68 -30.22 59.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.528 -1.358 . . . . 0.0 112.91 170.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -70.48 -42.67 71.07 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.394 -2.066 . . . . 0.0 114.361 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 48.6 mtt -51.67 -32.72 30.75 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.402 1.881 . . . . 0.0 113.425 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.05 -37.66 46.29 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -73.41 -57.88 3.7 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 123.09 1.424 . . . . 0.0 112.262 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.91 -21.72 59.05 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.073 1.749 . . . . 0.0 115.708 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 69.44 66.27 0.26 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 127.042 2.137 . . . . 0.0 110.322 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -57.75 126.31 26.84 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.6 mm -99.99 113.61 65.28 Favored Pre-proline 0 N--CA 1.431 -1.406 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 174.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -53.07 111.57 0.7 Allowed 'Trans proline' 0 N--CA 1.434 -1.987 0 CA-C-N 124.417 2.613 . . . . 0.0 115.068 150.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -83.6 126.55 32.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.696 1.236 . . . . 0.0 107.728 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -78.2 -36.78 46.89 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.712 -1.242 . . . . 0.0 112.951 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 52' ' ' VAL . 24.9 t -61.17 -40.54 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 127.018 2.127 . . . . 0.0 111.773 177.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.53 -26.48 68.58 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.705 2.402 . . . . 0.0 115.317 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -90.31 -18.66 25.18 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 119.595 -1.941 . . . . 0.0 110.487 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -88.68 -43.94 10.95 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.137 -1.602 . . . . 0.0 115.012 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.53 -42.39 82.81 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.52 -1.987 . . . . 0.0 113.623 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.99 -73.78 0.14 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.039 2.136 . . . . 0.0 109.91 169.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.684 1 N-CA-C 124.488 4.555 . . . . 0.0 124.488 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo . . . . . 0 N--CA 1.433 -2.034 0 N-CA-C 116.298 1.615 . . . . 0.0 116.298 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -120.08 169.75 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 127.595 2.358 . . . . 0.0 105.473 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 p -133.63 163.84 28.53 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 119.272 -2.142 . . . . 0.0 108.417 175.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.456 HD23 ' H ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -49.02 -34.57 13.57 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.314 1.845 . . . . 0.0 115.524 169.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.456 ' H ' HD23 ' A' ' 6' ' ' LEU . 82.8 m-85 -68.43 -38.24 81.01 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.211 1.804 . . . . 0.0 112.972 176.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -71.27 -38.09 71.86 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.392 -1.443 . . . . 0.0 110.66 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 t -65.86 -45.68 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.034 2.134 . . . . 0.0 110.709 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.42 -54.48 45.1 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.4 1.88 . . . . 0.0 114.583 175.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -63.56 -35.29 80.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.94 -44.75 79.83 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.713 -1.242 . . . . 0.0 113.137 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.74 -23.64 53.0 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.988 -1.695 . . . . 0.0 111.27 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.03 39.08 6.21 Favored Glycine 0 N--CA 1.431 -1.644 0 C-N-CA 127.776 2.607 . . . . 0.0 112.477 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.23 -178.07 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.094 1.358 . . . . 0.0 110.04 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 p -87.74 157.44 19.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.764 1.268 . . . . 0.0 110.804 172.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.271 13.9 p90 -59.6 -42.71 93.2 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 -175.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -75.9 -10.75 59.68 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.401 -2.062 . . . . 0.0 113.792 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.5 m -68.34 -36.34 79.12 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.863 -1.148 . . . . 0.0 109.939 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.01 -52.74 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 124.571 1.149 . . . . 0.0 113.63 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -57.61 -23.97 53.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 117.516 2.413 . . . . 0.0 117.516 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -16.88 61.57 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.929 -1.107 . . . . 0.0 112.956 173.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.3 t -93.65 -43.67 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-O 122.968 1.366 . . . . 0.0 109.416 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.2 -59.43 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.421 2.288 . . . . 0.0 114.37 -176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -110.94 -59.18 2.0 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.783 -1.198 . . . . 0.0 114.132 -174.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -97.88 63.9 1.69 Allowed 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.98 1.371 . . . . 0.0 112.312 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.16 108.94 3.33 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -163.59 -72.31 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.632 -1.293 . . . . 0.0 107.759 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -80.97 58.33 3.39 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.121 -1.612 . . . . 0.0 112.472 172.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -91.0 125.88 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -70.22 -3.7 18.23 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.24 -50.95 0.65 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -66.42 -55.14 17.17 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 128.353 2.661 . . . . 0.0 109.962 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -60.15 -33.39 72.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.106 1.762 . . . . 0.0 113.964 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -49.67 -46.79 50.18 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.968 1.707 . . . . 0.0 115.06 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.65 -22.13 61.47 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -88.27 -40.24 13.79 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.181 0.991 . . . . 0.0 109.14 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.4 t -70.46 -44.53 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 121.352 -0.842 . . . . 0.0 111.917 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -63.01 -27.11 69.19 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 121.258 -0.901 . . . . 0.0 112.687 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.68 62.64 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.544 1.138 . . . . 0.0 112.176 170.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -70.03 -43.52 71.12 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.917 -1.74 . . . . 0.0 113.691 177.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.2 mtt -57.42 -26.68 61.52 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 125.551 1.541 . . . . 0.0 113.949 169.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -41.05 23.16 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.5 1.12 . . . . 0.0 112.767 -174.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -72.7 -61.3 1.85 Allowed 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.351 1.548 . . . . 0.0 112.243 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.62 -19.91 62.05 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.822 1.649 . . . . 0.0 113.794 -175.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 66.65 63.12 0.51 Allowed 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.547 1.939 . . . . 0.0 109.937 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -55.0 116.73 2.92 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.91 103.96 22.53 Favored Pre-proline 0 N--CA 1.43 -1.47 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 170.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.04 156.93 64.16 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 N-CA-C 119.382 2.801 . . . . 0.0 119.382 158.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -101.18 131.0 47.37 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.605 2.362 . . . . 0.0 109.211 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -78.7 -35.52 44.86 Favored 'General case' 0 N--CA 1.428 -1.527 0 O-C-N 120.334 -1.478 . . . . 0.0 111.19 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 52' ' ' VAL . 3.6 t -56.01 -45.09 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 129.176 2.991 . . . . 0.0 114.754 178.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.42 97.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.643 1.977 . . . . 0.0 112.733 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -68.5 -24.46 64.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.164 1.785 . . . . 0.0 112.11 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -85.99 -49.57 7.73 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.658 -1.276 . . . . 0.0 112.281 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 56' ' ' LEU . 12.4 tp -63.43 -50.52 69.45 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 124.853 1.261 . . . . 0.0 114.04 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.24 -14.11 60.14 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 116.875 2.176 . . . . 0.0 116.875 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.76 0 C-N-CA 126.318 1.914 . . . . 0.0 116.666 -176.692 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo . . . . . 0 N--CA 1.433 -2.071 0 N-CA-C 116.243 1.593 . . . . 0.0 116.243 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.33 162.54 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 104.745 -2.317 . . . . 0.0 104.745 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -126.84 162.2 26.46 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.047 -1.658 . . . . 0.0 108.564 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.402 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.8 OUTLIER -48.59 -33.83 10.48 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.305 1.842 . . . . 0.0 115.374 171.181 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.402 ' H ' HD23 ' B' ' 6' ' ' LEU . 89.2 m-85 -69.69 -38.53 77.02 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 126.319 1.848 . . . . 0.0 112.309 176.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -37.92 75.73 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.863 -1.148 . . . . 0.0 111.001 -177.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 t -65.98 -45.32 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 127.271 2.229 . . . . 0.0 110.312 171.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.67 -54.71 42.92 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.91 1.684 . . . . 0.0 115.473 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.8 -36.34 82.81 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.145 1.378 . . . . 0.0 114.647 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -65.14 -47.34 77.43 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.907 -1.121 . . . . 0.0 112.803 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -75.96 -27.43 57.51 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.708 -1.87 . . . . 0.0 111.636 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.25 38.17 4.37 Favored Glycine 0 N--CA 1.429 -1.774 0 C-N-CA 125.749 1.643 . . . . 0.0 113.224 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -125.11 -178.27 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.011 1.724 . . . . 0.0 111.661 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 p -86.39 157.02 19.95 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.237 1.415 . . . . 0.0 111.149 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . 0.265 16.8 p90 -59.37 -42.31 91.3 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -175.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.51 -12.33 60.21 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.493 -2.005 . . . . 0.0 114.236 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 44.4 m -67.13 -34.51 77.75 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.569 -1.332 . . . . 0.0 110.383 174.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.68 -54.51 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 125.372 1.469 . . . . 0.0 113.033 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m -56.62 -27.16 57.64 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -19.55 65.01 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 124.884 1.274 . . . . 0.0 113.64 173.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.27 -46.01 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-O 123.062 1.41 . . . . 0.0 109.511 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.92 -58.16 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 127.719 2.408 . . . . 0.0 113.832 -174.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -108.51 -66.01 1.08 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.566 -1.334 . . . . 0.0 111.878 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -94.47 64.46 3.09 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.52 -1.363 . . . . 0.0 113.347 -166.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.96 107.3 1.45 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -160.7 -77.07 0.06 Allowed 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.55 -1.344 . . . . 0.0 108.215 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -79.34 59.12 2.77 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.744 1.259 . . . . 0.0 112.817 171.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -90.07 128.14 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 172.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.1 t -72.5 -6.41 43.65 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -176.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.55 -49.75 0.69 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.805 2.042 . . . . 0.0 115.389 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.69 -53.47 40.56 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.011 2.525 . . . . 0.0 110.353 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -61.87 -34.84 76.73 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.029 1.732 . . . . 0.0 114.789 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -48.22 -46.13 34.86 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.46 -23.94 64.85 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -87.09 -37.22 17.61 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.128 1.371 . . . . 0.0 109.111 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.45 -45.61 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 121.045 -1.034 . . . . 0.0 111.415 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -62.71 -28.67 70.11 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 121.269 -0.894 . . . . 0.0 113.089 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.17 -31.6 66.07 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 123.784 0.834 . . . . 0.0 112.334 170.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -68.54 -44.03 75.42 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.289 -2.132 . . . . 0.0 112.765 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 34.5 mtt -55.28 -29.04 57.37 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.757 1.623 . . . . 0.0 114.809 168.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.07 -32.24 30.42 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 124.331 1.052 . . . . 0.0 113.604 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -79.47 -63.01 1.51 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.909 1.338 . . . . 0.0 114.176 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -16.73 59.27 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.307 -173.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.35 69.64 0.26 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 128.635 2.774 . . . . 0.0 109.664 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -58.12 113.19 1.8 Allowed 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.6 103.94 21.55 Favored Pre-proline 0 N--CA 1.429 -1.499 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -65.75 161.78 37.51 Favored 'Trans proline' 0 C--N 1.3 -2.022 0 N-CA-C 120.91 3.388 . . . . 0.0 120.91 158.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -105.12 132.69 51.03 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 126.709 2.004 . . . . 0.0 107.801 173.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -81.52 -33.49 31.8 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.272 -1.517 . . . . 0.0 110.746 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.459 ' H ' HG23 ' B' ' 52' ' ' VAL . 3.6 t -55.1 -43.96 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.772 2.829 . . . . 0.0 113.732 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.9 -27.75 68.42 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.897 2.079 . . . . 0.0 113.999 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -81.33 -23.18 37.97 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.3 -2.125 . . . . 0.0 110.32 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -85.9 -49.31 7.97 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.874 -1.766 . . . . 0.0 112.854 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.52 -52.29 65.11 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.35 -11.68 59.94 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 0 C-N-CA 125.618 1.58 . . . . 0.0 113.937 -179.003 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo . . . . . 0 N--CA 1.433 -2.053 0 N-CA-C 108.176 -1.509 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.7 t -118.6 162.53 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 N-CA-C 102.598 -3.112 . . . . 0.0 102.598 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 p -120.29 160.48 22.91 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 121.611 2.005 . . . . 0.0 108.923 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -27.81 21.27 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 173.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.59 -46.51 63.31 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 128.201 2.601 . . . . 0.0 110.613 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.0 -29.03 69.34 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.087 -1.633 . . . . 0.0 113.977 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -71.29 -48.6 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 128.647 2.779 . . . . 0.0 110.574 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.51 -54.82 41.29 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -57.57 -36.04 71.16 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.249 1.82 . . . . 0.0 112.756 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -69.49 -45.46 68.88 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.63 -16.65 59.51 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.254 -1.529 . . . . 0.0 110.948 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.38 21.92 28.25 Favored Glycine 0 N--CA 1.43 -1.703 0 C-N-CA 125.467 1.508 . . . . 0.0 113.975 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -115.14 -174.18 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 125.114 1.366 . . . . 0.0 111.266 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -92.44 155.53 17.8 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 120.916 -1.115 . . . . 0.0 109.871 173.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -61.58 -30.01 70.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.143 -2.223 . . . . 0.0 115.592 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -72.14 -15.88 61.98 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.834 -1.166 . . . . 0.0 112.164 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -82.05 -44.56 16.45 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.065 -1.647 . . . . 0.0 110.239 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.73 -49.27 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.9 p -54.46 -30.17 52.05 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.679 2.474 . . . . 0.0 117.679 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -65.1 -24.63 67.49 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.484 1.514 . . . . 0.0 113.027 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.41 -46.88 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-O 122.788 1.28 . . . . 0.0 109.313 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -55.75 -59.04 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 128.062 2.545 . . . . 0.0 115.48 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.21 -21.01 0.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -86.82 55.84 3.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.597 -1.939 . . . . 0.0 113.16 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.71 93.93 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.667 2.387 . . . . 0.0 116.82 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 t -142.62 -96.86 0.12 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.46 1.104 . . . . 0.0 108.716 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -89.25 70.2 8.23 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.323 -1.486 . . . . 0.0 111.321 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.78 118.03 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.709 1.204 . . . . 0.0 108.696 173.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 t -71.88 124.34 24.64 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.888 -1.757 . . . . 0.0 110.014 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.45 71.47 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 121.04 -1.037 . . . . 0.0 113.732 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -65.33 -61.26 2.22 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.803 2.041 . . . . 0.0 110.932 173.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -67.32 -35.36 79.28 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.487 1.915 . . . . 0.0 115.797 -176.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -43.37 -52.53 5.84 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.4 -10.99 38.23 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -93.87 -40.73 10.0 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.43 -1.419 . . . . 0.0 109.236 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.2 t -70.49 -42.47 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.136 -1.602 . . . . 0.0 111.649 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -53.73 -32.19 51.1 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.41 -37.71 63.27 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 124.24 1.016 . . . . 0.0 112.525 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -62.4 -48.57 79.15 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.452 -2.03 . . . . 0.0 114.641 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 ptp -63.54 -14.51 51.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.876 -1.765 . . . . 0.0 114.724 171.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.97 -41.69 13.71 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.925 1.29 . . . . 0.0 113.811 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.5 -45.97 67.69 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.364 -1.46 . . . . 0.0 112.261 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.9 mt -85.31 -21.05 29.12 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.653 1.581 . . . . 0.0 113.945 -175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.495 0.6 OUTLIER 65.06 62.39 0.72 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 127.609 2.363 . . . . 0.0 113.632 -173.35 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -58.49 123.01 14.75 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.972 1.841 . . . . 0.0 115.972 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -103.74 104.83 44.74 Favored Pre-proline 0 N--CA 1.43 -1.429 0 N-CA-C 104.745 -2.316 . . . . 0.0 104.745 172.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -73.1 156.08 51.89 Favored 'Trans proline' 0 C--N 1.3 -2.006 0 CA-C-N 125.332 2.94 . . . . 0.0 115.345 151.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -127.21 142.65 51.43 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 122.641 1.21 . . . . 0.0 113.346 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -80.51 40.12 0.49 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.835 -1.791 . . . . 0.0 114.596 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.32 -56.57 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 127.194 2.198 . . . . 0.0 105.326 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.22 70.82 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 130.642 3.577 . . . . 0.0 113.198 172.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -80.46 -1.74 42.88 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -111.41 -63.54 1.4 Allowed 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.65 -1.906 . . . . 0.0 113.626 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tp -49.47 -39.94 35.32 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.77 -27.57 7.5 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 129.647 3.179 . . . . 0.0 115.35 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.752 0 C-N-CA 124.606 1.098 . . . . 0.0 114.005 174.551 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 N--CA 1.434 -2.028 0 N-CA-C 120.497 3.23 . . . . 0.0 120.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 t -128.32 159.62 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 101.623 -3.473 . . . . 0.0 101.623 175.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 72.1 p -117.35 161.35 19.67 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.825 -1.797 . . . . 0.0 110.473 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -27.9 54.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -72.11 -40.64 68.01 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.646 1.578 . . . . 0.0 111.989 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.18 -31.83 70.73 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.943 1.297 . . . . 0.0 111.441 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.77 -47.1 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 128.393 2.677 . . . . 0.0 110.071 171.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.01 36.79 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -59.25 -34.14 71.87 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.752 2.021 . . . . 0.0 114.74 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -73.96 -44.57 54.37 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 123.69 0.796 . . . . 0.0 112.643 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.98 -17.15 60.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.588 -1.945 . . . . 0.0 112.798 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.67 32.26 9.45 Favored Glycine 0 N--CA 1.43 -1.741 0 C-N-CA 125.992 1.758 . . . . 0.0 113.32 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -126.12 -178.14 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 121.235 -1.156 . . . . 0.0 110.974 -176.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.6 t -87.83 156.6 19.32 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.932 -1.105 . . . . 0.0 109.31 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -63.87 -26.81 68.78 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.04 -2.288 . . . . 0.0 114.946 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -70.7 -19.9 62.72 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.732 2.013 . . . . 0.0 112.614 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -81.19 -44.5 17.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.529 1.132 . . . . 0.0 109.565 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -55.28 -49.21 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 90.9 p -56.52 -29.81 62.3 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -63.49 -26.79 68.88 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.512 -1.368 . . . . 0.0 112.712 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.5 t -85.86 -44.03 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 120.785 -1.197 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -57.27 -65.74 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 126.363 1.865 . . . . 0.0 114.694 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.56 -7.27 0.34 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -93.56 54.72 2.08 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.428 -2.67 . . . . 0.0 112.275 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 87.44 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 127.509 2.324 . . . . 0.0 117.217 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.3 t -136.27 -98.5 0.22 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.157 1.383 . . . . 0.0 109.268 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -91.32 72.83 6.16 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.126 -1.609 . . . . 0.0 111.086 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.95 113.46 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 125.063 1.345 . . . . 0.0 109.164 175.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.6 t -70.61 126.59 30.03 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.871 -1.143 . . . . 0.0 110.761 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.44 -36.02 82.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.509 -1.37 . . . . 0.0 113.57 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.53 -55.0 38.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.245 1.418 . . . . 0.0 112.12 174.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -70.91 -42.25 70.17 Favored 'General case' 0 N--CA 1.429 -1.515 0 N-CA-C 117.16 2.281 . . . . 0.0 117.16 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -40.71 -52.45 2.94 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.33 -20.32 58.84 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 127.038 2.135 . . . . 0.0 115.525 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.98 -40.48 12.99 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-O 123.599 1.666 . . . . 0.0 109.327 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.1 t -72.04 -40.81 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 O-C-N 119.938 -1.726 . . . . 0.0 112.428 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -58.35 -27.93 64.64 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 123.721 0.808 . . . . 0.0 112.363 174.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.15 60.11 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 123.796 0.838 . . . . 0.0 112.779 171.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -62.02 -45.23 94.51 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.941 -2.35 . . . . 0.0 114.816 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 1.1 ptp -65.72 -16.55 63.87 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.853 -1.779 . . . . 0.0 113.826 173.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.64 -45.41 13.49 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.309 0.958 . . . . 0.0 110.894 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.5 -48.36 72.82 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 122.409 1.099 . . . . 0.0 112.933 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 14.5 mt -82.75 -16.75 46.76 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.729 2.012 . . . . 0.0 115.005 -177.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.412 1.4 p-10 60.51 59.24 2.28 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.363 3.065 . . . . 0.0 112.834 -175.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -54.29 129.71 36.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.22 107.42 55.64 Favored Pre-proline 0 N--CA 1.429 -1.484 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -72.26 154.79 56.6 Favored 'Trans proline' 0 C--N 1.3 -2.017 0 CA-C-N 123.982 2.458 . . . . 0.0 115.593 151.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -125.65 141.44 52.02 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 121.183 -0.948 . . . . 0.0 110.532 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -81.31 45.12 0.83 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 123.836 1.779 . . . . 0.0 115.241 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 33.0 t -116.66 -56.19 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 129.326 3.05 . . . . 0.0 104.974 171.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.77 81.1 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 129.377 3.071 . . . . 0.0 112.807 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.34 -0.45 25.65 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.265 -1.522 . . . . 0.0 114.578 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -114.35 -57.25 2.3 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.725 -1.859 . . . . 0.0 115.263 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -53.96 -43.24 69.72 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.657 -1.902 . . . . 0.0 116.003 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.34 -19.73 0.55 Allowed 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 130.682 3.593 . . . . 0.0 118.433 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.715 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 171.821 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 N--CA 1.433 -2.034 0 N-CA-C 119.21 2.735 . . . . 0.0 119.21 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 t -110.88 159.28 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 129.416 3.086 . . . . 0.0 103.627 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.1 p -120.43 161.1 21.81 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.567 -1.333 . . . . 0.0 109.911 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -54.21 -29.5 46.42 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.592 2.357 . . . . 0.0 113.8 173.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.441 ' H ' HD23 ' A' ' 6' ' ' LEU . 79.1 m-85 -71.3 -40.69 70.67 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 126.814 2.045 . . . . 0.0 111.535 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.98 -37.8 86.88 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.758 -1.214 . . . . 0.0 112.119 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG21 ' CG ' ' A' ' 47' ' ' TYR . 4.1 t -67.0 -47.73 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.85 2.46 . . . . 0.0 111.705 172.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.79 -52.41 64.08 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.869 2.068 . . . . 0.0 114.648 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -58.75 -44.82 90.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.208 1.403 . . . . 0.0 112.951 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -62.25 -47.73 83.06 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -77.17 -19.31 56.97 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.185 -1.572 . . . . 0.0 113.792 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.05 37.9 8.16 Favored Glycine 0 N--CA 1.429 -1.796 0 C-N-CA 125.341 1.448 . . . . 0.0 113.979 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.44 -177.63 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.693 1.597 . . . . 0.0 111.827 -174.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.4 t -87.4 165.14 15.8 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.554 -1.341 . . . . 0.0 111.154 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -68.72 -34.53 75.79 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.618 -1.927 . . . . 0.0 112.009 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -88.83 14.95 9.17 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.758 -1.214 . . . . 0.0 113.313 170.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 m -91.04 -50.18 6.0 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 105.253 -2.129 . . . . 0.0 105.253 165.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.1 t -50.71 -60.47 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 127.469 2.308 . . . . 0.0 115.859 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.1 p -54.38 -34.9 62.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -68.16 -21.8 64.88 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 111.727 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.91 -45.66 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 119.477 -2.015 . . . . 0.0 109.125 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.2 t -55.26 -52.4 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.744 2.418 . . . . 0.0 112.43 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -87.8 5.64 39.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.898 0.879 . . . . 0.0 112.877 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 46.85 69.31 0.5 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 -177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.71 -168.78 2.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.981 1.712 . . . . 0.0 113.511 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.7 m -71.79 -64.11 1.0 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.122 -2.236 . . . . 0.0 115.872 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -77.84 69.68 4.11 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -174.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.85 117.03 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 176.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 t -79.55 127.64 32.4 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 121.841 0.829 . . . . 0.0 109.752 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.74 -33.09 73.44 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -64.76 -56.46 13.44 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.021 1.391 . . . . 0.0 110.818 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.6 m -64.36 -42.41 96.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 127.617 2.367 . . . . 0.0 113.912 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -41.1 -48.98 3.44 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.59 -18.8 65.59 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -82.16 -40.56 21.62 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 124.501 1.12 . . . . 0.0 108.261 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.0 t -70.5 -47.78 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.318 1.447 . . . . 0.0 110.932 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.89 -25.94 68.38 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.769 -1.207 . . . . 0.0 112.952 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.8 -35.79 67.42 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.299 1.04 . . . . 0.0 112.356 169.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -64.97 -45.1 87.09 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.153 -1.592 . . . . 0.0 113.514 -178.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.0 mtt -50.96 -37.44 44.57 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.478 1.511 . . . . 0.0 113.844 169.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.5 -35.83 45.86 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.619 1.567 . . . . 0.0 113.524 -171.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -69.78 -62.32 1.43 Allowed 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.666 1.698 . . . . 0.0 111.383 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.91 -27.96 66.24 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 112.973 -1.921 . . . . 0.0 114.488 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.84 67.31 0.23 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.415 2.286 . . . . 0.0 108.684 -173.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CG ' HG21 ' A' ' 9' ' ' VAL . 14.5 t80 -63.44 136.14 57.4 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.1 mm -106.87 115.46 60.3 Favored Pre-proline 0 N--CA 1.43 -1.443 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -53.26 107.88 0.23 Allowed 'Trans proline' 0 C--N 1.3 -2.01 0 CA-C-N 123.433 2.262 . . . . 0.0 115.245 150.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -83.2 107.36 15.7 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 119.74 1.155 . . . . 0.0 108.374 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -72.64 -14.59 61.63 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.146 -2.221 . . . . 0.0 114.764 -174.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.07 -44.46 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 119.743 -1.848 . . . . 0.0 111.836 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.03 86.25 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 128.02 2.528 . . . . 0.0 113.34 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -59.83 -29.9 68.57 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.94 2.496 . . . . 0.0 113.387 173.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -87.52 -48.66 7.75 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.562 -1.336 . . . . 0.0 113.86 178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' LEU . 13.2 tp -64.58 -38.05 89.69 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.59 -67.91 0.52 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 121.714 -0.616 . . . . 0.0 109.539 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.74 1 C-N-CA 132.142 4.687 . . . . 0.0 121.433 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 N--CA 1.434 -1.983 0 N-CA-C 118.204 2.348 . . . . 0.0 118.204 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 t -105.66 162.34 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 130.639 3.576 . . . . 0.0 103.727 173.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.7 p -123.97 158.6 31.68 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.202 1.365 . . . . 0.0 108.958 -178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.401 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.7 OUTLIER -55.17 -26.86 41.59 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 174.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.401 ' H ' HD23 ' B' ' 6' ' ' LEU . 65.5 m-85 -71.01 -38.19 72.65 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.763 2.425 . . . . 0.0 111.395 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.17 -39.13 78.91 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.852 1.261 . . . . 0.0 110.93 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.413 ' H ' HG23 ' B' ' 9' ' ' VAL . 3.8 t -66.59 -48.19 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 127.075 2.15 . . . . 0.0 111.309 171.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.07 -50.26 71.47 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.677 1.591 . . . . 0.0 114.983 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -58.71 -42.67 89.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.201 1.8 . . . . 0.0 114.941 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -66.58 -47.68 71.99 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.285 -1.509 . . . . 0.0 113.137 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.65 -23.41 58.66 Favored 'General case' 0 N--CA 1.432 -1.373 0 O-C-N 119.779 -1.825 . . . . 0.0 113.099 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.46 31.99 8.51 Favored Glycine 0 N--CA 1.431 -1.667 0 C-N-CA 126.087 1.803 . . . . 0.0 113.76 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -126.95 -169.58 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 125.636 1.575 . . . . 0.0 111.999 -169.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.0 t -96.38 162.75 13.36 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.506 1.146 . . . . 0.0 110.181 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -66.88 -32.43 73.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.564 -1.96 . . . . 0.0 111.991 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -88.29 6.05 38.88 Favored 'General case' 0 CA--C 1.488 -1.407 0 O-C-N 120.141 -1.599 . . . . 0.0 113.616 170.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 89.0 m -84.38 -47.99 10.13 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 104.466 -2.42 . . . . 0.0 104.466 166.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.443 ' O ' HG23 ' B' ' 24' ' ' VAL . 74.0 t -50.65 -63.09 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 N-CA-C 116.64 2.089 . . . . 0.0 116.64 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.8 p -56.99 -33.4 67.08 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -23.36 66.32 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.727 -1.233 . . . . 0.0 111.852 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.68 -49.63 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 120.055 -1.653 . . . . 0.0 109.888 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 20' ' ' VAL . 57.5 t -48.6 -54.77 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 127.952 2.501 . . . . 0.0 115.168 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -85.56 -11.35 54.26 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.9 1.28 . . . . 0.0 113.267 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.253 33.5 mt-30 66.24 70.58 0.42 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.961 2.104 . . . . 0.0 113.903 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.23 -162.07 0.8 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.129 1.372 . . . . 0.0 112.569 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 74.9 m -79.74 -58.32 3.24 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.834 -1.791 . . . . 0.0 114.458 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -82.9 69.81 9.78 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 78.4 t -101.55 115.51 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 25.1 t -77.88 122.61 25.7 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.529 1.132 . . . . 0.0 110.468 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -28.93 68.15 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -175.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.411 ' HG3' ' H ' ' B' ' 33' ' ' LYS . 14.9 mtmt -69.09 -55.65 10.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.61 1.564 . . . . 0.0 111.492 174.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 5.1 m -68.72 -34.18 75.2 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -41.79 -51.79 4.12 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.01 -16.62 64.06 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -83.16 -40.69 19.4 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -70.24 -47.98 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 121.553 -0.717 . . . . 0.0 112.507 173.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.251 39.3 mt-10 -62.83 -27.84 69.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 118.625 0.648 . . . . 0.0 112.115 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.98 -38.63 72.74 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 121.14 -0.975 . . . . 0.0 112.16 169.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.25 -42.27 99.17 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.597 -1.94 . . . . 0.0 114.713 -178.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 30.3 mtt -54.48 -29.79 51.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.728 1.611 . . . . 0.0 115.02 168.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.88 -31.0 20.99 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 125.128 1.371 . . . . 0.0 113.662 -171.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.06 -59.02 2.92 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 124.021 1.867 . . . . 0.0 108.747 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -76.53 -23.51 53.65 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.282 2.233 . . . . 0.0 115.295 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.28 64.23 0.85 Allowed 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.932 1.693 . . . . 0.0 111.051 -173.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -61.14 132.5 53.93 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 11.2 mm -100.85 117.41 62.62 Favored Pre-proline 0 N--CA 1.431 -1.425 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -53.89 108.9 0.31 Allowed 'Trans proline' 0 N--CA 1.433 -2.038 0 CA-C-N 124.058 2.485 . . . . 0.0 116.306 150.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -82.85 112.38 19.61 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 mtt85 -79.28 -11.44 59.94 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.086 -2.259 . . . . 0.0 113.293 -173.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 t -75.6 -42.85 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 120.139 -1.601 . . . . 0.0 111.233 177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.47 70.66 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 128.187 2.595 . . . . 0.0 112.921 171.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -73.25 -26.16 61.0 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.876 -1.765 . . . . 0.0 112.52 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -91.68 -44.65 8.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.705 1.742 . . . . 0.0 115.705 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.14 -45.4 85.17 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 -69.72 0.29 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.333 1.053 . . . . 0.0 111.183 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.685 0 C-N-CA 130.676 3.988 . . . . 0.0 119.534 175.881 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo . . . . . 0 N--CA 1.435 -1.958 0 N-CA-C 118.658 2.522 . . . . 0.0 118.658 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.1 169.56 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 130.447 3.499 . . . . 0.0 104.977 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 p -132.86 159.44 39.85 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.721 -1.862 . . . . 0.0 108.295 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.46 -31.29 22.71 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 172.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -74.52 -30.49 61.8 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.271 1.829 . . . . 0.0 112.269 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -40.83 69.96 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.422 1.489 . . . . 0.0 110.484 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -66.14 -47.5 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 127.872 2.469 . . . . 0.0 111.347 173.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.22 78.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.59 -45.15 92.73 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.76 1.624 . . . . 0.0 113.597 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.72 -48.61 78.49 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.061 -1.649 . . . . 0.0 113.389 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -74.7 -14.09 60.69 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.563 -1.336 . . . . 0.0 113.38 -177.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.59 31.65 36.17 Favored Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 125.805 1.669 . . . . 0.0 112.788 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.0 m -124.33 -168.72 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 125.131 1.372 . . . . 0.0 109.566 -176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 p -102.64 167.11 10.12 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.984 -1.072 . . . . 0.0 111.626 175.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -68.37 -29.89 68.7 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 118.792 -2.443 . . . . 0.0 113.49 176.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -63.06 -40.77 98.67 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.958 2.103 . . . . 0.0 111.122 171.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -66.06 -42.56 89.29 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.702 -1.249 . . . . 0.0 111.581 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.439 HG22 HG13 ' A' ' 38' ' ' VAL . 55.1 t -60.28 -55.59 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 176.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.6 t -55.53 -32.35 62.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.91 -36.04 62.3 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.112 1.765 . . . . 0.0 113.587 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.5 t -88.69 -45.43 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 125.13 1.372 . . . . 0.0 110.027 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 20' ' ' VAL . 54.3 t -55.87 -46.08 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 128.013 2.525 . . . . 0.0 113.906 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -90.81 0.02 57.58 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.389 -1.444 . . . . 0.0 114.166 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 52.59 64.31 1.9 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.996 2.119 . . . . 0.0 115.687 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.56 -174.71 2.16 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 121.959 0.885 . . . . 0.0 111.901 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.9 m -82.44 -54.24 5.36 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.746 -1.846 . . . . 0.0 110.229 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -77.26 70.48 3.66 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.086 1.354 . . . . 0.0 113.242 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.7 t -105.68 125.29 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 173.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 t -72.56 119.79 17.28 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 121.085 -1.009 . . . . 0.0 110.121 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.58 -29.48 70.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.401 1.48 . . . . 0.0 114.019 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -66.72 -55.82 13.35 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.764 -1.21 . . . . 0.0 110.756 174.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -65.57 -37.91 88.02 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.657 1.983 . . . . 0.0 115.727 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -43.36 -49.59 6.94 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.54 -19.63 63.84 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.685 1.994 . . . . 0.0 115.696 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -84.58 -43.66 14.26 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.947 -1.095 . . . . 0.0 108.319 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.439 HG13 HG22 ' A' ' 20' ' ' VAL . 7.4 t -68.18 -46.24 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 124.048 0.939 . . . . 0.0 111.503 176.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -58.12 -29.12 65.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 121.182 -0.949 . . . . 0.0 112.668 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.21 71.77 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 123.141 0.576 . . . . 0.0 112.368 172.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -66.19 -41.67 89.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.524 -1.985 . . . . 0.0 115.077 178.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.9 mtt -55.99 -27.26 52.0 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 168.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.32 -42.48 14.56 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.505 1.122 . . . . 0.0 113.313 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -68.32 -52.32 34.85 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 123.903 1.811 . . . . 0.0 112.603 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.31 -23.75 37.65 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 113.437 -1.71 . . . . 0.0 113.189 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.86 63.88 0.31 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.926 2.091 . . . . 0.0 110.514 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -60.07 124.33 19.89 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -105.69 105.25 52.21 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 169.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -64.56 115.06 2.99 Favored 'Trans proline' 0 C--N 1.299 -2.037 0 CA-C-N 123.474 2.277 . . . . 0.0 115.95 154.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -75.51 140.37 42.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.255 1.422 . . . . 0.0 112.817 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -73.19 -28.85 62.43 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.95 -1.719 . . . . 0.0 113.268 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -62.29 -40.97 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.702 -1.874 . . . . 0.0 113.293 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.41 -24.17 65.63 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.745 2.418 . . . . 0.0 113.49 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -81.88 -32.78 30.86 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.712 -1.242 . . . . 0.0 111.243 173.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -86.72 -36.74 18.49 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 -172.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 56' ' ' LEU . 8.0 tp -71.32 -42.68 68.31 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.624 -1.923 . . . . 0.0 112.48 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.68 -58.05 10.25 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.235 2.214 . . . . 0.0 108.779 165.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.727 0 N-CA-C 121.927 3.531 . . . . 0.0 121.927 162.159 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 N--CA 1.434 -1.972 0 N-CA-C 117.904 2.232 . . . . 0.0 117.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.05 164.94 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 N-CA-C 103.077 -2.934 . . . . 0.0 103.077 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 20.2 p -128.26 160.98 30.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.769 -1.832 . . . . 0.0 109.521 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.435 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.8 OUTLIER -50.85 -31.7 18.06 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 171.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.435 ' H ' HD23 ' B' ' 6' ' ' LEU . 60.5 m-85 -72.08 -35.1 69.15 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.28 1.432 . . . . 0.0 112.538 176.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -40.2 77.07 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.637 1.575 . . . . 0.0 110.657 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 t -64.88 -48.49 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.726 2.41 . . . . 0.0 111.365 173.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.35 83.51 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -61.67 -43.72 98.32 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.867 1.667 . . . . 0.0 113.364 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -62.91 -49.47 74.67 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.149 0.98 . . . . 0.0 113.184 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.56 -10.63 59.73 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.724 -1.235 . . . . 0.0 113.377 -176.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.12 27.86 61.37 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 125.845 1.688 . . . . 0.0 113.8 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -116.26 -152.89 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.389 1.476 . . . . 0.0 110.632 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.4 p -120.51 165.05 15.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.785 1.634 . . . . 0.0 109.546 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -66.98 -30.06 70.07 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.731 -1.855 . . . . 0.0 113.249 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -65.46 -39.33 91.87 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.123 1.769 . . . . 0.0 111.595 172.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -66.26 -43.27 86.95 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.643 1.177 . . . . 0.0 111.335 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.402 ' O ' HG23 ' B' ' 24' ' ' VAL . 54.4 t -58.15 -58.27 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 177.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.1 t -58.03 -29.19 65.15 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -54.24 -36.03 63.12 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.12 1.768 . . . . 0.0 113.352 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 37.4 t -88.13 -46.67 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 124.26 1.024 . . . . 0.0 110.497 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 20' ' ' VAL . 58.0 t -55.35 -48.52 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.073 2.149 . . . . 0.0 114.52 -178.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -84.06 -15.06 48.85 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 66.84 70.96 0.39 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.944 1.697 . . . . 0.0 113.655 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.64 -170.31 1.52 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 122.368 1.08 . . . . 0.0 111.957 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.3 m -90.08 -52.55 4.9 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.274 -2.141 . . . . 0.0 109.696 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -78.67 73.96 5.21 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.794 0.838 . . . . 0.0 112.604 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.48 129.14 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 174.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.8 t -75.71 119.13 19.32 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.244 -1.535 . . . . 0.0 110.325 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.92 70.11 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -67.31 -56.79 8.3 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.265 1.426 . . . . 0.0 110.514 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.3 m -65.46 -36.23 83.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.883 2.073 . . . . 0.0 116.324 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -45.11 -51.57 10.14 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.14 -15.88 48.78 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 117.028 2.232 . . . . 0.0 117.028 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -85.65 -43.37 13.49 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.153 -1.592 . . . . 0.0 107.32 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 t -68.07 -45.82 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 120.862 -1.148 . . . . 0.0 113.197 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -58.2 -31.76 67.62 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 123.967 0.907 . . . . 0.0 111.693 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.9 -38.62 79.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.475 -0.766 . . . . 0.0 113.043 171.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.75 -40.84 92.5 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.418 -2.051 . . . . 0.0 114.534 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 33.0 mtt -56.51 -30.55 63.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.89 -39.08 22.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.417 1.087 . . . . 0.0 113.421 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.75 -52.5 24.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 124.5 2.095 . . . . 0.0 112.224 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.7 -22.65 34.44 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.325 1.45 . . . . 0.0 113.053 -174.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.52 66.33 0.25 Allowed 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 127.088 2.155 . . . . 0.0 109.484 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -63.32 126.2 26.67 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.76 105.0 53.75 Favored Pre-proline 0 N--CA 1.43 -1.455 0 N-CA-C 102.724 -3.065 . . . . 0.0 102.724 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -65.23 114.01 2.66 Favored 'Trans proline' 0 C--N 1.299 -2.064 0 CA-C-N 123.034 2.119 . . . . 0.0 115.478 153.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -75.55 141.34 42.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.32 1.533 . . . . 0.0 114.643 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -70.14 -32.39 70.36 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.778 -1.826 . . . . 0.0 114.202 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.29 -41.36 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-O 123.979 1.847 . . . . 0.0 113.562 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.36 -24.57 64.81 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.838 2.455 . . . . 0.0 113.027 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -80.75 -33.92 34.71 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.581 1.181 . . . . 0.0 111.944 173.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -84.49 -37.93 20.71 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 119.26 3.059 . . . . 0.0 119.26 -172.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' B' ' 56' ' ' LEU . 7.9 tp -71.16 -45.47 63.44 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.109 -2.245 . . . . 0.0 111.821 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.66 67.29 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.375 2.67 . . . . 0.0 110.314 166.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.705 0 N-CA-C 121.699 3.44 . . . . 0.0 121.699 162.033 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo . . . . . 0 N--CA 1.434 -2.003 0 N-CA-C 118.885 2.61 . . . . 0.0 118.885 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.3 t -140.69 163.16 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -126.42 162.2 26.13 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 119.783 1.174 . . . . 0.0 109.84 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -51.48 -31.49 23.68 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.654 1.982 . . . . 0.0 115.485 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -72.97 -37.87 66.91 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.517 1.927 . . . . 0.0 111.799 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -69.11 -38.96 79.19 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.403 1.481 . . . . 0.0 111.246 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG21 ' CG ' ' A' ' 47' ' ' TYR . 14.9 t -69.42 -44.65 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.545 1.938 . . . . 0.0 111.296 173.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -52.44 65.37 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.115 1.366 . . . . 0.0 113.458 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.57 -40.57 92.15 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.02 1.328 . . . . 0.0 113.572 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -64.22 -48.47 75.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.736 -1.228 . . . . 0.0 113.6 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.88 -14.76 59.85 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.833 -1.792 . . . . 0.0 112.802 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.12 36.44 10.0 Favored Glycine 0 N--CA 1.43 -1.717 0 O-C-N 120.165 -1.585 . . . . 0.0 113.568 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.94 -171.21 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 125.042 1.337 . . . . 0.0 111.424 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.4 t -97.86 167.47 10.91 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.945 1.355 . . . . 0.0 110.138 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -73.14 -26.43 61.21 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.878 -1.764 . . . . 0.0 112.189 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.99 -40.09 87.31 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.979 1.311 . . . . 0.0 112.116 170.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.0 m -60.43 -44.16 96.07 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.929 2.092 . . . . 0.0 111.512 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.68 -61.07 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 126.592 1.957 . . . . 0.0 115.105 173.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -52.33 -33.78 44.2 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -23.03 64.99 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.093 -1.629 . . . . 0.0 114.759 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 t -90.44 -51.05 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.468 -1.395 . . . . 0.0 109.701 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.4 t -52.86 -49.68 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 129.186 2.995 . . . . 0.0 114.359 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.75 -1.82 29.23 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.922 1.289 . . . . 0.0 114.443 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.256 77.0 mt-30 62.53 56.56 2.02 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.03 -164.63 0.84 Allowed 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.601 -1.312 . . . . 0.0 111.285 176.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -112.57 -72.19 0.72 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.563 -1.336 . . . . 0.0 113.554 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -71.29 82.89 0.76 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 120.014 3.338 . . . . 0.0 120.014 -167.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.3 t -133.42 -80.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 N-CA-C 104.771 -2.307 . . . . 0.0 104.771 167.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -179.04 -169.97 0.17 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 101.161 -3.644 . . . . 0.0 101.161 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.43 -30.56 3.64 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 122.036 2.198 . . . . 0.0 114.676 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -67.42 -52.73 36.2 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.6 m -48.4 -40.62 26.41 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 127.068 2.147 . . . . 0.0 116.338 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -29.86 -52.98 0.14 Allowed 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 118.372 2.731 . . . . 0.0 118.372 169.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.31 -21.94 66.78 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.18 2.192 . . . . 0.0 116.755 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -82.98 -36.99 24.64 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.875 1.67 . . . . 0.0 108.97 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.1 t -67.14 -41.08 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 121.774 -0.579 . . . . 0.0 112.143 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -51.82 -31.2 26.49 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.89 70.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.881 1.272 . . . . 0.0 113.607 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -62.24 -38.66 90.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.499 -2.001 . . . . 0.0 115.698 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.0 mtt -53.22 -31.1 41.51 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.05 -26.4 23.73 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.035 1.334 . . . . 0.0 113.642 -172.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.67 -57.98 3.54 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-O 123.448 1.594 . . . . 0.0 111.911 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -75.98 -22.63 55.67 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 127.148 2.179 . . . . 0.0 114.547 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.95 65.68 0.17 Allowed 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 127.115 2.166 . . . . 0.0 108.597 -173.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.431 ' CG ' HG21 ' A' ' 9' ' ' VAL . 11.4 t80 -62.94 121.32 13.23 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.0 109.4 63.07 Favored Pre-proline 0 N--CA 1.43 -1.455 0 N-CA-C 103.131 -2.914 . . . . 0.0 103.131 170.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -65.42 135.36 42.37 Favored 'Trans proline' 0 C--N 1.299 -2.03 0 CA-C-N 122.695 1.998 . . . . 0.0 114.603 151.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -93.31 133.88 36.09 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.803 -1.186 . . . . 0.0 108.442 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -72.96 -15.19 61.56 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.142 -1.598 . . . . 0.0 111.865 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.8 t -64.77 -47.94 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 127.354 2.261 . . . . 0.0 111.816 171.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.48 -24.19 65.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.438 1.895 . . . . 0.0 113.037 174.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -83.32 -16.08 47.58 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.88 -1.763 . . . . 0.0 112.512 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -101.67 -40.58 6.92 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 56' ' ' LEU . 10.2 tp -65.43 -43.73 89.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.983 -1.698 . . . . 0.0 113.738 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.47 -73.4 0.17 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.377 1.071 . . . . 0.0 108.734 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.802 1 C-N-CA 131.969 4.604 . . . . 0.0 121.461 174.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo . . . . . 0 N--CA 1.433 -2.031 0 N-CA-C 106.464 -2.168 . . . . 0.0 106.464 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.91 166.39 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 126.388 1.875 . . . . 0.0 106.036 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -124.89 159.52 30.94 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.851 -1.156 . . . . 0.0 108.13 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -49.49 -34.07 16.09 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 169.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -72.16 -34.01 68.15 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.653 1.981 . . . . 0.0 113.071 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -72.76 -39.9 66.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 122.328 1.061 . . . . 0.0 110.392 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.5 -44.18 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 126.102 1.761 . . . . 0.0 111.086 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.52 73.3 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.69 -40.51 92.45 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.576 -1.328 . . . . 0.0 113.287 175.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.451 ' CE1' ' HG3' ' B' ' 44' ' ' GLU . 50.5 t80 -63.29 -47.96 80.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.235 -1.541 . . . . 0.0 113.495 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.573 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -77.44 -13.6 59.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.583 -1.323 . . . . 0.0 113.432 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.29 33.81 22.02 Favored Glycine 0 N--CA 1.429 -1.78 0 C-N-CA 125.488 1.518 . . . . 0.0 113.927 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 26.2 m -127.58 -174.04 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.862 1.665 . . . . 0.0 112.083 -175.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 32.3 t -95.02 168.37 10.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 123.604 1.668 . . . . 0.0 110.687 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -75.52 -24.89 56.84 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.766 -1.833 . . . . 0.0 112.493 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -68.09 -41.65 81.54 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.459 1.504 . . . . 0.0 110.559 170.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.1 m -59.68 -43.8 93.88 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 125.797 1.639 . . . . 0.0 112.052 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.46 -61.06 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 126.336 1.854 . . . . 0.0 115.342 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.2 t -55.68 -31.96 62.85 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -21.68 63.84 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.144 -1.598 . . . . 0.0 114.601 172.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.58 -51.17 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 120.111 -1.618 . . . . 0.0 109.163 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 t -51.39 -52.47 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 129.037 2.935 . . . . 0.0 114.465 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.89 -4.05 28.52 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.26 76.4 mt-30 64.0 67.91 0.59 Allowed 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.45 -151.5 0.23 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.275 -1.516 . . . . 0.0 111.106 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.9 m -124.94 -75.17 0.6 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.769 -1.207 . . . . 0.0 112.233 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -70.6 83.34 0.61 Allowed 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 119.294 3.072 . . . . 0.0 119.294 -168.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.19 -74.75 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 168.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 29.8 t 173.71 -173.25 0.05 Allowed 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 101.219 -3.623 . . . . 0.0 101.219 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -122.73 -25.05 4.73 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -70.82 -54.78 10.3 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.489 -1.382 . . . . 0.0 113.698 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 7.7 m -47.56 -41.34 21.16 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.901 2.08 . . . . 0.0 116.304 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -30.0 -51.04 0.12 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 118.632 2.827 . . . . 0.0 118.632 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.11 -24.76 67.52 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -80.48 -34.23 35.99 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.98 1.712 . . . . 0.0 109.769 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 t -70.69 -40.92 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.228 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -52.32 -33.01 40.61 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 122.432 1.11 . . . . 0.0 113.343 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.28 73.39 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.706 1.202 . . . . 0.0 114.228 174.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.573 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -64.83 -43.0 94.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.472 -1.392 . . . . 0.0 114.671 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 43.7 mtt -48.13 -34.05 9.25 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 126.249 1.82 . . . . 0.0 114.78 171.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.9 -25.4 35.0 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -174.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.451 ' HG3' ' CE1' ' B' ' 12' ' ' TYR . 5.7 mm-40 -78.94 -61.2 2.09 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.338 -1.476 . . . . 0.0 111.377 -176.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.25 -16.59 54.38 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.052 1.741 . . . . 0.0 113.202 -175.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.14 63.23 0.1 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.316 2.246 . . . . 0.0 109.506 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -59.69 120.76 10.09 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.29 101.13 33.26 Favored Pre-proline 0 N--CA 1.43 -1.435 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -61.83 129.92 29.3 Favored 'Trans proline' 0 C--N 1.3 -2.009 0 CA-C-N 123.827 2.403 . . . . 0.0 115.459 152.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -91.12 134.81 34.22 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 121.078 -1.014 . . . . 0.0 109.321 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -70.65 -14.44 62.47 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.369 -1.457 . . . . 0.0 113.789 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 9.8 t -65.23 -49.0 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 127.921 2.488 . . . . 0.0 111.375 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.18 -21.81 65.77 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 124.338 2.018 . . . . 0.0 113.451 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -84.69 -19.16 33.26 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.337 -1.477 . . . . 0.0 111.11 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -100.09 -36.88 9.18 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' B' ' 56' ' ' LEU . 10.6 tp -68.63 -42.69 77.71 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 120.934 1.697 . . . . 0.0 113.515 -176.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -75.75 0.11 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.285 1.434 . . . . 0.0 109.065 167.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.749 1 C-N-CA 130.766 4.031 . . . . 0.0 121.558 173.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo . . . . . 0 N--CA 1.433 -2.043 0 CA-C-O 122.083 0.785 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.5 t -120.7 160.79 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 101.74 -3.43 . . . . 0.0 101.74 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -121.04 158.39 27.93 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.011 -1.681 . . . . 0.0 109.678 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 7' ' ' TYR . 1.1 pt? -49.34 -31.85 10.11 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.381 1.872 . . . . 0.0 114.863 171.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.404 ' H ' HD23 ' A' ' 6' ' ' LEU . 78.6 m-85 -71.13 -40.74 71.24 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 125.791 1.636 . . . . 0.0 112.45 175.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -68.23 -39.25 82.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.817 1.247 . . . . 0.0 110.38 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 t -64.78 -45.91 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 126.608 1.963 . . . . 0.0 111.243 172.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.24 70.91 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 125.714 1.605 . . . . 0.0 114.378 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -61.12 -36.23 79.18 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.935 1.294 . . . . 0.0 114.04 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -67.38 -49.18 64.99 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.266 -0.896 . . . . 0.0 113.001 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -75.28 -21.83 58.21 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.338 -2.101 . . . . 0.0 112.699 -178.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.9 34.97 6.97 Favored Glycine 0 N--CA 1.43 -1.715 0 O-C-N 119.9 -1.75 . . . . 0.0 113.595 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.71 -165.4 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 124.645 1.178 . . . . 0.0 111.3 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.2 t -98.93 162.34 13.14 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 123.073 1.416 . . . . 0.0 108.546 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -66.66 -33.95 76.79 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.991 -1.693 . . . . 0.0 112.8 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -70.11 -30.1 67.21 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.005 -1.685 . . . . 0.0 113.738 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.2 m -61.52 -42.63 99.09 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.057 1.343 . . . . 0.0 110.739 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 24' ' ' VAL . 89.6 t -58.64 -59.21 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 125.242 1.417 . . . . 0.0 113.627 171.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.7 m -55.44 -25.77 38.16 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 118.62 2.822 . . . . 0.0 118.62 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -71.77 -23.97 61.68 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.049 -1.657 . . . . 0.0 111.999 173.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -84.48 -48.62 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-O 123.889 1.804 . . . . 0.0 110.14 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.7 t -54.81 -43.34 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 128.336 2.654 . . . . 0.0 113.07 178.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -84.21 -4.92 59.14 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 60.94 54.4 3.45 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.79 1.636 . . . . 0.0 114.811 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.44 -179.08 7.3 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.6 m -78.72 -59.55 2.74 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.605 -1.309 . . . . 0.0 112.844 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -79.55 72.58 6.22 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.5 t -114.21 135.26 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 127.649 2.379 . . . . 0.0 106.488 173.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.2 t -84.08 132.06 34.74 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 121.3 -0.875 . . . . 0.0 109.228 177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -33.53 73.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -70.32 -56.27 7.12 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-O 123.11 1.433 . . . . 0.0 110.693 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -57.71 -37.09 72.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.691 1.996 . . . . 0.0 114.778 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -49.83 -48.23 51.02 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.93 -10.55 29.82 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -95.24 -43.11 8.21 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.723 -1.236 . . . . 0.0 108.904 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.85 -46.87 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 124.636 1.174 . . . . 0.0 113.025 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -56.4 -35.05 67.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.951 1.3 . . . . 0.0 111.972 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.17 -37.18 72.2 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.483 1.513 . . . . 0.0 113.293 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -64.05 -41.77 97.27 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.055 -1.653 . . . . 0.0 114.4 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.1 mtt -57.59 -27.85 63.09 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 120.654 -1.279 . . . . 0.0 113.649 171.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.84 -31.86 20.58 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 123.954 0.902 . . . . 0.0 113.32 -172.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -72.18 -59.33 2.79 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 123.145 1.45 . . . . 0.0 112.09 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.84 -24.13 58.55 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.197 1.799 . . . . 0.0 114.285 -176.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 72.11 67.9 0.14 Allowed 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.727 2.411 . . . . 0.0 109.396 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -63.08 115.25 4.28 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.12 108.2 60.74 Favored Pre-proline 0 N--CA 1.43 -1.452 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 167.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -65.65 152.05 82.84 Favored 'Trans proline' 0 N--CA 1.434 -2.026 0 CA-C-N 123.913 2.433 . . . . 0.0 118.404 155.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -96.41 142.46 28.49 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.805 1.288 . . . . 0.0 109.004 175.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -82.36 -23.06 35.21 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 118.927 -2.358 . . . . 0.0 112.729 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -57.14 -41.29 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 C-N-CA 127.822 2.449 . . . . 0.0 111.049 170.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -24.33 66.42 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.703 2.801 . . . . 0.0 114.464 176.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -88.51 -32.11 18.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.429 -1.42 . . . . 0.0 112.101 174.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -80.47 -46.04 16.56 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 116.534 2.05 . . . . 0.0 116.534 -172.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.81 -46.13 79.77 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.902 -1.749 . . . . 0.0 112.099 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.91 -44.89 50.49 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 130.012 3.325 . . . . 0.0 113.213 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.731 0 C-N-CA 123.482 0.563 . . . . 0.0 113.778 171.565 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo . . . . . 0 N--CA 1.433 -2.056 0 CA-C-O 121.62 0.592 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.9 t -125.41 164.18 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 100.819 -3.771 . . . . 0.0 100.819 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 19.4 p -124.81 160.37 28.88 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.764 -1.835 . . . . 0.0 108.146 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.409 ' HG ' ' HB2' ' B' ' 17' ' ' TYR . 1.4 pt? -51.37 -30.63 19.51 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 171.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -70.23 -39.77 74.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.96 1.704 . . . . 0.0 111.22 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.33 -34.51 74.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.77 1.228 . . . . 0.0 113.074 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 t -66.79 -47.02 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.506 0 C-N-CA 126.966 2.106 . . . . 0.0 109.908 171.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.74 68.54 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -58.66 -39.09 79.64 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.115 1.766 . . . . 0.0 112.564 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -67.98 -48.16 66.58 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.106 -1.621 . . . . 0.0 114.368 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.88 -20.73 59.6 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.551 -1.343 . . . . 0.0 113.226 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.54 29.94 15.03 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 124.962 1.268 . . . . 0.0 112.567 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.4 m -121.26 -176.39 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 C-N-CA 126.121 1.768 . . . . 0.0 111.364 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.5 t -84.44 163.2 19.62 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 123.762 1.744 . . . . 0.0 110.321 170.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.409 ' HB2' ' HG ' ' B' ' 6' ' ' LEU . 48.0 p90 -69.89 -32.5 70.86 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.163 -2.211 . . . . 0.0 112.24 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -69.65 -34.3 73.81 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.327 -1.483 . . . . 0.0 112.247 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 85.2 m -59.87 -44.01 94.4 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.624 1.969 . . . . 0.0 110.673 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.421 ' HA ' HG11 ' B' ' 38' ' ' VAL . 65.7 t -57.12 -62.01 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.88 1.272 . . . . 0.0 113.611 170.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -54.64 -28.2 45.24 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 118.726 2.861 . . . . 0.0 118.726 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -69.12 -21.47 64.03 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.57 -1.956 . . . . 0.0 114.017 172.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -85.83 -45.06 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 O-C-N 120.458 -1.402 . . . . 0.0 109.688 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 20' ' ' VAL . 37.7 t -59.52 -46.58 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 128.132 2.573 . . . . 0.0 113.31 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -79.78 -2.52 43.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.62 -1.3 . . . . 0.0 113.686 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 56.8 61.64 2.55 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.063 2.145 . . . . 0.0 113.768 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.27 -176.91 5.83 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 123.273 1.511 . . . . 0.0 114.332 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -78.98 -62.83 1.57 Allowed 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.616 -1.302 . . . . 0.0 114.216 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -81.1 71.69 8.09 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.218 1.485 . . . . 0.0 114.862 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.8 t -111.95 139.01 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 104.296 -2.483 . . . . 0.0 104.296 172.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.2 t -88.16 138.3 31.57 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-O 122.14 0.971 . . . . 0.0 109.006 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.83 71.84 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.609 -1.307 . . . . 0.0 114.409 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -72.52 -52.95 13.47 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.286 -1.509 . . . . 0.0 111.142 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.4 m -61.67 -38.32 87.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.597 1.959 . . . . 0.0 115.177 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -50.87 -47.68 60.41 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.1 -11.14 12.5 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.032 2.133 . . . . 0.0 115.766 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -96.11 -41.53 8.68 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.131 -1.606 . . . . 0.0 109.117 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' B' ' 20' ' ' VAL . 22.7 t -68.67 -47.22 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 121.375 -0.828 . . . . 0.0 113.021 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -57.54 -32.19 66.84 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.445 1.498 . . . . 0.0 110.816 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.4 -31.57 62.38 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.525 1.13 . . . . 0.0 113.198 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -67.98 -43.62 78.54 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.724 -1.86 . . . . 0.0 113.638 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 34.8 mtt -53.82 -28.92 38.38 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.288 1.835 . . . . 0.0 114.077 170.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.89 -37.03 24.82 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.17 -62.3 1.44 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.627 -1.296 . . . . 0.0 112.761 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.3 -18.22 53.08 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.252 0.3 OUTLIER 71.09 67.21 0.17 Allowed 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 127.05 2.14 . . . . 0.0 111.459 -178.22 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -59.84 118.39 6.14 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.59 105.22 56.92 Favored Pre-proline 0 N--CA 1.43 -1.441 0 N-CA-C 104.214 -2.513 . . . . 0.0 104.214 168.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -61.71 145.26 97.53 Favored 'Trans proline' 0 C--N 1.3 -2.019 0 N-CA-C 118.923 2.624 . . . . 0.0 118.923 154.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -90.24 144.72 25.59 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 122.73 1.252 . . . . 0.0 110.064 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -81.41 -23.63 37.46 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.184 -2.198 . . . . 0.0 111.949 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 t -56.69 -42.46 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 127.274 2.229 . . . . 0.0 112.253 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.49 68.34 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 128.665 2.786 . . . . 0.0 114.465 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -87.54 -31.32 19.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.913 -1.117 . . . . 0.0 112.044 174.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -81.08 -42.52 20.87 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -173.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' B' ' 56' ' ' LEU . 6.7 tp -67.65 -46.77 71.45 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.166 -1.584 . . . . 0.0 110.9 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.77 -44.62 38.97 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 129.926 3.29 . . . . 0.0 113.265 169.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.706 0 O-C-N 121.326 -0.859 . . . . 0.0 114.057 171.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 N--CA 1.433 -2.037 0 CA-C-O 121.864 0.693 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.15 163.89 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 106.498 -1.668 . . . . 0.0 106.498 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.1 p -133.03 160.99 35.55 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 176.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -29.56 25.62 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 172.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -70.56 -38.07 74.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.901 2.08 . . . . 0.0 111.907 175.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.38 -38.2 77.91 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.777 1.631 . . . . 0.0 111.171 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 t -64.5 -46.79 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 127.201 2.2 . . . . 0.0 110.816 170.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -51.37 69.92 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.97 -35.2 77.77 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.171 1.388 . . . . 0.0 114.042 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -69.61 -47.55 63.1 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.246 -1.534 . . . . 0.0 113.285 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -77.64 -17.71 57.48 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.973 -1.704 . . . . 0.0 113.326 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.92 45.45 7.66 Favored Glycine 0 N--CA 1.431 -1.682 0 O-C-N 120.333 -1.479 . . . . 0.0 112.271 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -135.79 -178.04 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.77 1.628 . . . . 0.0 110.647 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.0 p -86.86 166.1 15.44 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.52 -1.362 . . . . 0.0 111.85 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.317 21.2 p90 -63.93 -40.47 96.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.585 -1.947 . . . . 0.0 114.741 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -78.52 -9.52 59.36 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.983 -2.323 . . . . 0.0 115.154 173.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.8 m -72.11 -35.22 69.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 123.399 1.571 . . . . 0.0 110.261 171.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HA ' HG11 ' A' ' 38' ' ' VAL . 88.6 t -63.85 -58.81 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 118.797 -2.439 . . . . 0.0 112.938 171.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.2 p -56.96 -31.31 64.86 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.506 2.039 . . . . 0.0 116.506 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -55.91 -29.58 60.28 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.956 1.702 . . . . 0.0 114.168 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.9 t -88.31 -50.76 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 120.839 -1.163 . . . . 0.0 108.831 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.4 t -48.6 -58.32 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 127.993 2.517 . . . . 0.0 115.282 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.58 -4.93 49.99 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 66.07 73.02 0.39 Allowed 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.797 1.639 . . . . 0.0 113.757 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.51 -144.02 0.09 Allowed 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 121.221 -0.924 . . . . 0.0 111.846 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.5 p -118.79 166.4 12.84 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.062 -1.648 . . . . 0.0 111.231 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . 0.27 13.1 t60 49.58 52.05 15.27 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.941 2.097 . . . . 0.0 114.409 -170.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -80.5 114.18 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 121.332 -0.855 . . . . 0.0 110.401 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.1 t -75.43 130.25 38.65 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.579 -1.326 . . . . 0.0 110.313 173.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.6 -36.16 82.91 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.293 1.437 . . . . 0.0 113.446 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -63.07 -52.84 61.15 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.572 -1.955 . . . . 0.0 111.414 174.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.0 m -68.73 -38.0 79.85 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -47.07 -48.79 22.45 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.924 -1.735 . . . . 0.0 115.023 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -71.43 -9.77 58.7 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -87.44 -41.01 13.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.053 1.341 . . . . 0.0 108.284 175.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 20' ' ' VAL . 16.1 t -71.22 -41.49 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 121.061 -1.024 . . . . 0.0 112.578 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -54.91 -37.56 66.5 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.389 1.076 . . . . 0.0 112.412 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.55 75.09 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 121.1 -1.0 . . . . 0.0 113.646 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -68.93 -41.87 77.53 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.765 -1.834 . . . . 0.0 114.036 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 30.7 mtt -54.99 -25.16 28.02 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 126.604 1.962 . . . . 0.0 115.43 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.5 -41.57 14.26 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 122.028 0.918 . . . . 0.0 112.099 -174.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -67.43 -59.88 3.03 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 124.127 1.918 . . . . 0.0 113.105 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.16 -20.75 44.15 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.816 -173.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 72.2 66.81 0.13 Allowed 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 128.372 2.669 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.68 132.57 21.7 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -102.89 102.45 27.32 Favored Pre-proline 0 N--CA 1.43 -1.469 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.59 112.47 1.97 Allowed 'Trans proline' 0 N--CA 1.434 -1.976 0 CA-C-N 122.795 2.034 . . . . 0.0 114.493 153.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -86.86 120.2 27.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.618 1.567 . . . . 0.0 108.39 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -80.75 -18.87 46.33 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.203 -1.561 . . . . 0.0 112.917 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.6 t -62.71 -45.88 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.629 1.571 . . . . 0.0 111.737 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.71 77.61 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 128.113 2.565 . . . . 0.0 113.214 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -63.51 -29.06 70.39 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 126.456 1.903 . . . . 0.0 114.075 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -83.96 -40.26 18.7 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.571 -1.33 . . . . 0.0 112.172 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 56' ' ' LEU . 9.8 tp -68.16 -41.33 81.68 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.737 -1.227 . . . . 0.0 113.642 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.58 89.78 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.327 1.451 . . . . 0.0 110.243 170.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.741 0 N-CA-C 121.649 3.42 . . . . 0.0 121.649 161.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo . . . . . 0 N--CA 1.435 -1.956 0 N-CA-C 110.761 -0.515 . . . . 0.0 110.761 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 t -131.57 160.84 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.2 p -129.88 163.62 25.93 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.23 -1.544 . . . . 0.0 108.048 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.417 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.9 OUTLIER -51.67 -32.35 29.35 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 171.085 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . 0.417 ' H ' HD23 ' B' ' 6' ' ' LEU . 74.2 m-85 -68.54 -38.51 80.89 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.926 1.691 . . . . 0.0 112.074 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.91 -39.38 76.21 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.287 -1.508 . . . . 0.0 111.174 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 t -62.29 -45.35 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 126.472 1.909 . . . . 0.0 110.826 172.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.5 -54.66 43.16 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.107 1.763 . . . . 0.0 115.511 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -59.96 -37.97 81.13 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 125.053 1.341 . . . . 0.0 113.193 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -68.39 -48.6 64.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 119.36 0.982 . . . . 0.0 112.767 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -75.28 -22.94 57.4 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.355 -2.09 . . . . 0.0 112.217 -175.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.69 41.19 6.49 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 120.459 -1.401 . . . . 0.0 111.888 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.01 -174.07 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 125.107 1.363 . . . . 0.0 109.638 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 84.8 p -90.73 165.26 13.77 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 122.637 1.208 . . . . 0.0 111.331 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . 0.26 17.7 p90 -66.13 -39.28 89.76 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.105 -2.247 . . . . 0.0 114.172 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -74.42 -17.8 60.74 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.978 -1.701 . . . . 0.0 114.585 172.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 55.3 m -67.87 -34.31 76.43 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.791 -1.818 . . . . 0.0 110.777 173.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.434 ' HA ' HG11 ' B' ' 38' ' ' VAL . 72.8 t -63.85 -59.98 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 O-C-N 120.836 -1.165 . . . . 0.0 112.389 170.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -57.61 -32.62 67.39 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -51.75 -31.27 25.98 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.856 1.662 . . . . 0.0 115.016 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.89 -50.16 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.204 -1.56 . . . . 0.0 109.668 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 20' ' ' VAL . 48.9 t -48.5 -58.74 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 127.915 2.486 . . . . 0.0 114.862 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -94.83 -6.66 42.32 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 121.028 -1.045 . . . . 0.0 112.884 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 67.0 83.06 0.17 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.53 1.532 . . . . 0.0 113.569 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.61 -156.97 0.51 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.933 -1.104 . . . . 0.0 110.764 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.1 p -100.83 168.94 9.33 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.727 -1.233 . . . . 0.0 111.231 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . 0.314 7.0 t60 47.68 48.96 16.91 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.744 2.418 . . . . 0.0 115.712 -174.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -75.63 118.78 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 O-C-N 120.709 -1.245 . . . . 0.0 110.873 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.0 t -81.99 129.63 34.84 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.624 -1.922 . . . . 0.0 109.648 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.36 99.59 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.465 1.506 . . . . 0.0 114.398 -176.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -61.22 -49.76 75.82 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.678 1.991 . . . . 0.0 112.924 173.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 21.7 m -64.7 -41.49 95.99 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.943 -1.723 . . . . 0.0 113.975 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -47.25 -50.58 20.93 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.674 -1.891 . . . . 0.0 114.474 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.15 -13.73 62.23 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -85.69 -41.96 14.69 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.719 -1.238 . . . . 0.0 108.733 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' B' ' 20' ' ' VAL . 21.5 t -71.26 -43.15 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.39 0 O-C-N 121.483 -0.76 . . . . 0.0 111.992 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -52.52 -36.17 54.77 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.011 1.325 . . . . 0.0 112.673 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.92 73.1 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.14 -42.5 93.77 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.536 -1.977 . . . . 0.0 114.538 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 33.4 mtt -53.57 -33.61 55.37 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 124.855 1.262 . . . . 0.0 113.621 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.5 37.69 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -173.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.74 -50.99 25.13 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.898 1.809 . . . . 0.0 112.526 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.04 -29.83 34.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.271 1.828 . . . . 0.0 112.476 -176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 75.05 64.61 0.07 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.531 2.332 . . . . 0.0 109.866 -176.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.99 132.35 37.5 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 116.247 1.943 . . . . 0.0 116.247 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 27.6 mm -100.32 103.2 21.76 Favored Pre-proline 0 N--CA 1.43 -1.437 0 C-N-CA 126.801 2.041 . . . . 0.0 106.567 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -63.86 114.14 2.47 Favored 'Trans proline' 0 C--N 1.299 -2.032 0 CA-C-N 123.424 2.259 . . . . 0.0 115.098 153.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -89.89 123.89 34.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.304 1.041 . . . . 0.0 109.47 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -80.88 -21.93 40.23 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.623 -1.923 . . . . 0.0 113.562 -176.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 t -59.38 -46.63 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 126.284 1.834 . . . . 0.0 111.388 172.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.86 70.26 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.916 2.487 . . . . 0.0 113.376 173.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -81.66 -22.78 37.32 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 118.901 -2.375 . . . . 0.0 111.323 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.85 -39.88 12.08 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.551 1.14 . . . . 0.0 113.126 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 56' ' ' LEU . 10.1 tp -68.16 -39.5 82.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.623 -1.923 . . . . 0.0 114.204 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.84 -40.72 75.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.499 1.52 . . . . 0.0 110.04 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.809 0 N-CA-C 121.464 3.346 . . . . 0.0 121.464 162.84 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 N--CA 1.434 -2.013 0 N-CA-C 110.727 -0.528 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.06 161.98 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p -122.35 165.36 16.4 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.817 -1.177 . . . . 0.0 110.056 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.4 -33.04 28.53 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.331 2.252 . . . . 0.0 115.525 170.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -72.46 -37.62 68.46 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.547 1.539 . . . . 0.0 112.186 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -72.15 -35.07 68.95 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.38 -1.45 . . . . 0.0 112.379 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 t -67.39 -44.48 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.817 2.447 . . . . 0.0 110.228 170.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -52.55 64.18 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.762 1.625 . . . . 0.0 114.57 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -60.32 -34.98 74.58 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.963 1.705 . . . . 0.0 114.303 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -70.42 -45.95 64.87 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.896 -1.753 . . . . 0.0 113.582 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.81 -24.94 52.77 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.229 -1.544 . . . . 0.0 111.639 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.13 38.09 4.68 Favored Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 125.558 1.551 . . . . 0.0 113.408 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.82 -177.96 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 124.3 1.04 . . . . 0.0 110.561 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.1 t -82.77 155.82 24.03 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 122.564 1.173 . . . . 0.0 110.921 169.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -66.84 -26.52 66.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.812 -1.805 . . . . 0.0 113.214 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -72.35 -35.16 68.46 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.443 -1.411 . . . . 0.0 111.318 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.4 m -61.28 -41.92 97.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.84 1.256 . . . . 0.0 111.641 173.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.78 -52.46 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 173.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -50.57 -44.27 56.66 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.648 1.979 . . . . 0.0 114.908 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 -62.19 -15.51 46.92 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.53 -53.6 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.219 -1.551 . . . . 0.0 110.092 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.2 t -48.21 -55.77 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 131.21 3.804 . . . . 0.0 114.769 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -88.85 6.42 39.19 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.64 -1.288 . . . . 0.0 113.695 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 58.31 74.92 0.41 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 127.725 2.41 . . . . 0.0 115.608 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.05 174.57 7.82 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 121.094 -1.004 . . . . 0.0 111.511 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -71.9 -49.15 40.38 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -75.58 75.46 2.6 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -174.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.629 HG13 ' HG3' ' A' ' 35' ' ' ARG . 39.4 t -122.12 110.61 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 126.292 1.837 . . . . 0.0 109.535 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.0 p -90.1 6.52 42.12 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.772 -1.205 . . . . 0.0 113.595 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.07 -43.53 0.56 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 174.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -40.55 -51.81 2.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 128.807 2.843 . . . . 0.0 114.485 -175.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.7 m -88.43 -37.64 15.67 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 113.827 -1.533 . . . . 0.0 111.503 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.629 ' HG3' HG13 ' A' ' 30' ' ' VAL . 10.2 mmt180 -64.42 -24.88 67.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.733 -1.854 . . . . 0.0 115.476 -173.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -56.71 -28.97 61.93 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 168.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -86.48 -33.62 20.3 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.845 1.258 . . . . 0.0 109.583 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.94 -43.14 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 124.876 1.27 . . . . 0.0 111.888 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.52 -25.57 68.31 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.406 1.082 . . . . 0.0 111.702 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.77 -32.44 40.96 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 123.89 0.876 . . . . 0.0 112.844 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -63.7 -46.05 87.24 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 119.335 -2.103 . . . . 0.0 113.528 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 ptp -64.94 -12.43 49.56 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.69 -1.256 . . . . 0.0 113.349 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.52 -42.25 10.94 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.825 -1.172 . . . . 0.0 112.891 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.65 -58.92 4.58 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-O 123.512 1.625 . . . . 0.0 112.278 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.92 -31.85 71.91 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.527 2.331 . . . . 0.0 113.74 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.256 1.0 OUTLIER 71.24 70.97 0.18 Allowed 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.679 2.392 . . . . 0.0 109.732 -176.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -59.58 139.29 57.29 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.905 1.682 . . . . 0.0 114.816 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -107.88 99.2 29.01 Favored Pre-proline 0 N--CA 1.431 -1.4 0 N-CA-C 104.004 -2.591 . . . . 0.0 104.004 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -62.13 116.13 3.28 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 CA-C-N 122.836 2.049 . . . . 0.0 116.23 155.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -84.92 123.44 30.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.271 1.428 . . . . 0.0 109.818 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.18 -18.84 48.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.508 -2.62 . . . . 0.0 113.412 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.32 -40.64 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 119.275 -2.141 . . . . 0.0 110.241 174.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.53 69.78 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.825 2.45 . . . . 0.0 113.354 173.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -83.42 -23.98 32.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.011 -1.68 . . . . 0.0 113.093 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -84.5 -49.15 8.88 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 -175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 56' ' ' LEU . 8.1 tp -64.44 -43.76 93.26 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.325 -1.484 . . . . 0.0 112.243 -177.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.68 -44.66 57.85 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.224 3.01 . . . . 0.0 113.288 168.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.742 0 N-CA-C 117.055 1.582 . . . . 0.0 117.055 168.583 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo . . . . . 0 N--CA 1.435 -1.958 0 N-CA-C 108.556 -1.363 . . . . 0.0 108.556 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 t -126.53 170.32 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 28.1 p -129.59 163.04 26.86 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.8 -32.0 29.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.46 1.904 . . . . 0.0 115.367 170.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -71.31 -36.68 71.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.209 1.804 . . . . 0.0 112.413 175.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -75.71 -31.08 59.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.532 -1.355 . . . . 0.0 111.028 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 t -68.07 -47.04 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 126.807 2.043 . . . . 0.0 110.162 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.58 -52.75 62.69 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -58.43 -36.55 73.8 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.112 1.365 . . . . 0.0 114.274 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -70.08 -44.53 68.9 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.677 -1.264 . . . . 0.0 113.868 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -77.62 -18.83 56.39 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.197 -2.189 . . . . 0.0 112.998 -177.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.31 16.18 Favored Glycine 0 N--CA 1.429 -1.769 0 C-N-CA 125.948 1.737 . . . . 0.0 113.937 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.1 m -122.34 -174.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 125.344 1.457 . . . . 0.0 110.782 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.3 t -92.66 154.71 18.19 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.295 1.038 . . . . 0.0 110.056 171.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -59.4 -31.17 69.01 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 126.804 2.042 . . . . 0.0 114.413 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -69.89 -33.72 72.59 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 120.339 -1.475 . . . . 0.0 111.617 174.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -65.86 -42.84 89.88 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.532 1.533 . . . . 0.0 110.869 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.72 -51.87 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 125.465 1.506 . . . . 0.0 114.387 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.0 t -51.99 -40.87 61.63 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.861 1.664 . . . . 0.0 114.872 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -67.36 -8.28 31.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.41 -54.08 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 119.552 -1.968 . . . . 0.0 109.098 174.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.0 t -46.7 -55.06 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 130.289 3.436 . . . . 0.0 114.501 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -90.95 13.54 16.33 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.089 -2.257 . . . . 0.0 113.524 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 53.66 77.02 0.19 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.553 2.341 . . . . 0.0 114.45 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.83 179.0 7.12 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-O 122.67 1.224 . . . . 0.0 111.288 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -82.38 -45.39 14.92 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.214 -1.554 . . . . 0.0 112.665 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -74.55 71.42 1.85 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.656 HG13 ' HG3' ' B' ' 35' ' ' ARG . 25.2 t -117.68 108.86 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 125.864 1.665 . . . . 0.0 110.72 174.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.3 p -87.76 8.08 27.35 Favored 'General case' 0 N--CA 1.428 -1.537 0 O-C-N 120.434 -1.416 . . . . 0.0 114.456 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.87 -47.61 0.65 Allowed 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 119.734 3.235 . . . . 0.0 119.734 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -42.59 -53.04 4.59 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.768 2.427 . . . . 0.0 114.309 -173.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 12.4 m -87.27 -35.56 18.41 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.699 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.656 ' HG3' HG13 ' B' ' 30' ' ' VAL . 11.2 mmt180 -65.3 -27.88 68.93 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.385 -2.072 . . . . 0.0 114.495 -174.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -54.46 -28.28 43.41 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 169.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -89.08 -33.25 17.18 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.741 1.616 . . . . 0.0 109.958 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 44.6 t -64.43 -43.72 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 124.222 1.009 . . . . 0.0 111.903 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.05 -31.54 70.08 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.625 1.17 . . . . 0.0 111.909 175.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.92 67.85 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.895 -1.128 . . . . 0.0 112.307 172.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -62.09 -49.21 76.83 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.499 -2.001 . . . . 0.0 114.296 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 3.1 ptp -63.33 -16.36 60.16 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 124.439 1.096 . . . . 0.0 113.096 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.65 -44.6 11.72 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 124.353 1.061 . . . . 0.0 113.306 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.11 -56.52 16.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 123.438 1.59 . . . . 0.0 113.444 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.14 -27.58 63.66 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.79 2.036 . . . . 0.0 113.353 -177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.87 67.28 0.23 Allowed 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 128.488 2.715 . . . . 0.0 109.924 -176.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -57.07 137.31 55.94 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.799 2.039 . . . . 0.0 114.578 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -108.44 99.7 34.16 Favored Pre-proline 0 N--CA 1.429 -1.485 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -64.29 112.74 1.99 Allowed 'Trans proline' 0 C--N 1.3 -1.995 0 N-CA-C 116.678 1.761 . . . . 0.0 116.678 158.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -83.75 128.96 34.91 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.111 1.364 . . . . 0.0 112.146 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -83.23 -26.5 30.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.958 -1.714 . . . . 0.0 113.52 -173.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.81 -40.18 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 O-C-N 119.847 -1.783 . . . . 0.0 110.488 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.35 68.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 128.066 2.547 . . . . 0.0 113.226 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -86.49 -25.79 24.95 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.233 -1.542 . . . . 0.0 112.973 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.99 -46.78 12.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 tp -66.11 -40.05 90.43 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 120.05 1.296 . . . . 0.0 111.848 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.67 -39.38 73.68 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.115 2.966 . . . . 0.0 113.16 170.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.43 -1.736 0 N-CA-C 118.854 2.301 . . . . 0.0 118.854 170.675 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.5 mtt . . . . . 0 CA--C 1.49 -1.357 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -101.01 103.45 25.34 Favored Pre-proline 0 N--CA 1.429 -1.476 0 CA-C-O 115.362 -2.256 . . . . 0.0 106.778 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -58.56 152.47 55.12 Favored 'Trans proline' 0 N--CA 1.434 -2.021 0 CA-C-N 124.622 2.686 . . . . 0.0 118.454 156.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -128.85 166.52 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 129.471 3.109 . . . . 0.0 103.182 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.5 p -123.38 158.89 30.08 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.36 -1.463 . . . . 0.0 110.194 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -48.84 -32.73 9.27 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 126.249 1.82 . . . . 0.0 115.347 168.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -71.65 -40.67 69.53 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.734 1.614 . . . . 0.0 111.964 177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -65.04 -42.93 93.88 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.55 1.54 . . . . 0.0 110.562 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.415 HG23 ' H ' ' A' ' 9' ' ' VAL . 7.1 t -63.45 -44.7 98.97 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 O-C-N 119.705 -1.872 . . . . 0.0 113.048 173.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.09 -49.37 77.92 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 125.291 1.436 . . . . 0.0 114.058 176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.49 -42.42 92.1 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 126.296 1.838 . . . . 0.0 112.959 175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -64.82 -52.14 58.36 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.008 -1.682 . . . . 0.0 112.989 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -72.61 -17.17 61.71 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.611 -1.931 . . . . 0.0 113.134 -177.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.16 34.86 16.43 Favored Glycine 0 N--CA 1.431 -1.699 0 C-N-CA 126.308 1.909 . . . . 0.0 113.151 177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 m -124.98 -170.0 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 125.798 1.639 . . . . 0.0 111.489 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 t -93.89 163.01 13.68 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.388 -1.445 . . . . 0.0 108.77 175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -72.68 -24.87 61.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 119.329 -2.107 . . . . 0.0 112.557 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -78.17 -24.76 47.11 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 121.023 -1.048 . . . . 0.0 110.973 172.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -65.58 -43.49 89.58 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 120.435 -1.416 . . . . 0.0 110.087 172.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.449 ' HA ' HG11 ' A' ' 38' ' ' VAL . 71.5 t -59.18 -59.2 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.562 1.545 . . . . 0.0 113.828 172.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 97.6 p -59.33 -21.4 59.72 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.471 ' HA ' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -59.41 -38.14 79.81 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.292 -1.505 . . . . 0.0 113.703 168.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.9 -44.76 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 O-C-N 120.799 -1.188 . . . . 0.0 110.386 -174.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.3 t -65.0 -62.07 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 127.891 2.476 . . . . 0.0 114.082 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -104.58 21.15 17.3 Favored 'General case' 0 N--CA 1.43 -1.472 0 C-N-CA 126.622 1.969 . . . . 0.0 115.913 -174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 60.01 58.83 2.59 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 118.465 2.765 . . . . 0.0 118.465 169.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.471 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -90.4 -171.39 3.07 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.647 -1.283 . . . . 0.0 110.846 174.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.3 m -108.34 -64.93 1.17 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 117.221 2.304 . . . . 0.0 117.221 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -84.71 74.95 10.37 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -164.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -126.29 -100.22 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.438 0 C-N-CA 124.714 1.206 . . . . 0.0 107.864 170.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 81.2 p 178.59 170.49 0.82 Allowed 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 127.978 2.511 . . . . 0.0 107.607 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.78 -27.03 23.83 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.967 -1.083 . . . . 0.0 110.594 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' H ' ' HG3' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -58.53 -58.7 7.37 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.326 2.25 . . . . 0.0 113.101 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.7 m -72.54 -29.25 63.41 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.743 1.217 . . . . 0.0 113.291 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 43.8 ttp85 -43.65 -54.48 4.99 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.561 2.06 . . . . 0.0 116.561 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -65.23 -17.55 64.59 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.962 2.105 . . . . 0.0 116.508 177.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -81.61 -36.35 29.02 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.088 -1.632 . . . . 0.0 108.393 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.449 HG11 ' HA ' ' A' ' 20' ' ' VAL . 19.3 t -65.3 -40.98 90.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 O-C-N 121.014 -1.054 . . . . 0.0 111.27 171.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -57.24 -30.0 64.26 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.88 -34.5 73.64 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.331 1.452 . . . . 0.0 113.139 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -70.7 -42.83 70.12 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.341 1.608 . . . . 0.0 115.341 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.5 mtt -50.77 -35.13 30.22 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 168.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.58 -29.87 52.26 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.857 1.429 . . . . 0.0 114.857 -173.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -78.78 -65.95 0.92 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 124.772 1.229 . . . . 0.0 112.981 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.33 -21.64 59.61 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 125.201 1.4 . . . . 0.0 113.027 -173.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 73.96 71.16 0.11 Allowed 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 128.936 2.894 . . . . 0.0 110.511 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -64.23 111.04 2.42 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 116.282 1.956 . . . . 0.0 116.282 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.78 106.47 58.81 Favored Pre-proline 0 N--CA 1.43 -1.432 1 N-CA-C 99.632 -4.21 . . . . 0.0 99.632 168.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -66.97 162.3 38.66 Favored 'Trans proline' 0 N--CA 1.434 -2.016 0 C-N-CA 122.859 2.373 . . . . 0.0 117.316 156.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -90.6 125.05 35.51 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.491 1.516 . . . . 0.0 109.994 176.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -70.07 -23.21 63.04 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.786 -1.196 . . . . 0.0 111.639 176.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.1 t -72.19 -43.73 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 126.205 1.802 . . . . 0.0 112.462 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.61 92.75 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.523 2.329 . . . . 0.0 112.425 172.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -63.59 -26.2 68.58 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 126.436 1.894 . . . . 0.0 113.741 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -88.56 -46.87 8.73 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.047 -1.658 . . . . 0.0 112.702 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 56' ' ' LEU . 11.6 tp -63.6 -45.94 88.07 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 120.469 -1.395 . . . . 0.0 114.712 -177.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.58 36.23 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 177.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -64.55 45.18 0.1 Allowed Glycine 0 N--CA 1.43 -1.743 0 C-N-CA 127.322 2.391 . . . . 0.0 117.822 -175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt 53.94 138.9 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 129.505 3.122 . . . . 0.0 118.531 177.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -69.67 158.48 35.27 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.06 -2.9 . . . . 0.0 113.033 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 t -83.41 136.5 34.3 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.23 -2.169 . . . . 0.0 110.982 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 C--O 1.26 1.636 0 C-N-CA 124.758 1.223 . . . . 0.0 112.709 -176.094 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 CA--C 1.49 -1.342 0 CA-C-O 119.243 -0.408 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 48.2 tptt -112.53 105.02 56.2 Favored Pre-proline 0 N--CA 1.43 -1.458 0 N-CA-C 105.005 -2.22 . . . . 0.0 105.005 175.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -59.54 151.96 65.5 Favored 'Trans proline' 0 N--CA 1.433 -2.039 0 CA-C-N 124.247 2.553 . . . . 0.0 118.477 156.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 24.7 t -128.38 166.06 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 N-CA-C 103.087 -2.931 . . . . 0.0 103.087 177.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.7 p -125.15 161.12 27.54 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.618 -1.926 . . . . 0.0 109.925 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -49.07 -31.55 8.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 127.022 2.129 . . . . 0.0 116.096 169.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -75.85 -32.09 59.61 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 126.218 1.807 . . . . 0.0 112.394 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -72.05 -40.65 68.2 Favored 'General case' 0 N--CA 1.431 -1.407 0 C-N-CA 126.769 2.028 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.9 t -66.14 -45.08 91.25 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 C-N-CA 126.944 2.098 . . . . 0.0 112.625 172.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.94 79.58 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 125.172 1.389 . . . . 0.0 114.555 177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -57.04 -41.32 78.42 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.464 1.906 . . . . 0.0 114.195 173.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -68.7 -47.57 66.09 Favored 'General case' 0 N--CA 1.431 -1.425 0 O-C-N 120.243 -1.535 . . . . 0.0 113.45 177.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -75.36 -18.92 59.85 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.304 -1.497 . . . . 0.0 113.473 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.32 32.39 19.94 Favored Glycine 0 N--CA 1.43 -1.704 0 O-C-N 120.327 -1.483 . . . . 0.0 112.875 178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -123.57 -174.51 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.992 1.317 . . . . 0.0 111.697 -176.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 24.4 t -90.78 164.18 14.18 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.514 -1.366 . . . . 0.0 109.967 175.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -74.12 -23.4 59.3 Favored 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 118.595 -2.565 . . . . 0.0 113.371 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -78.71 -21.68 47.74 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.139 0.976 . . . . 0.0 111.559 172.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -67.82 -46.88 70.61 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.798 -1.189 . . . . 0.0 110.403 170.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.478 ' HA ' HG11 ' B' ' 38' ' ' VAL . 69.9 t -56.13 -58.5 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 126.156 1.782 . . . . 0.0 113.707 175.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 81.1 p -62.27 -19.4 63.19 Favored 'General case' 0 N--CA 1.431 -1.412 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.514 ' HA ' ' HB3' ' B' ' 27' ' ' ALA . 0.0 OUTLIER -62.1 -36.71 82.54 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 121.338 -0.851 . . . . 0.0 112.943 167.5 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.25 -47.24 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.458 0 CA-C-O 123.282 1.515 . . . . 0.0 109.981 -174.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.25 -65.54 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 128.717 2.807 . . . . 0.0 114.241 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -104.32 25.85 9.62 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -173.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 55.48 66.12 1.3 Allowed 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 118.61 2.819 . . . . 0.0 118.61 170.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.514 ' HB3' ' HA ' ' B' ' 22' ' ' ARG . . . -98.14 -172.8 2.43 Favored 'General case' 0 N--CA 1.431 -1.414 0 O-C-N 120.71 -1.244 . . . . 0.0 110.825 175.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.3 m -102.17 -73.37 0.66 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.115 2.635 . . . . 0.0 118.115 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -80.07 79.53 6.6 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 119.065 2.987 . . . . 0.0 119.065 -162.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -128.21 -96.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 171.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 96.0 p 175.27 167.8 0.32 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 127.27 2.228 . . . . 0.0 107.053 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.73 -26.89 27.33 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.483 -1.385 . . . . 0.0 111.049 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.423 ' H ' ' HG3' ' B' ' 33' ' ' LYS . 1.4 mtpm? -57.65 -60.58 3.46 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 128.191 2.596 . . . . 0.0 112.616 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 24.5 m -72.05 -28.92 63.66 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.679 -1.263 . . . . 0.0 114.169 -177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 42.1 ttp85 -44.02 -53.53 6.21 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 126.532 1.933 . . . . 0.0 115.134 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.52 -19.1 64.5 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 116.642 2.09 . . . . 0.0 116.642 178.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -83.1 -35.24 25.79 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.024 -1.673 . . . . 0.0 108.953 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.478 HG11 ' HA ' ' B' ' 20' ' ' VAL . 14.1 t -65.86 -40.06 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 O-C-N 120.493 -1.379 . . . . 0.0 112.555 170.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -57.81 -26.97 62.71 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.2 -40.15 68.06 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.661 1.184 . . . . 0.0 111.967 172.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.601 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.5 -44.85 85.76 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.328 -2.107 . . . . 0.0 114.61 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 44.9 mtt -51.11 -29.95 14.78 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 127.019 2.127 . . . . 0.0 116.104 171.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.09 -37.73 23.43 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.459 1.504 . . . . 0.0 112.698 -173.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.2 -63.44 1.11 Allowed 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.479 1.133 . . . . 0.0 112.943 -178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -22.35 50.21 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 122.299 1.047 . . . . 0.0 112.531 -173.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . 0.413 ' O ' HD12 ' B' ' 48' ' ' ILE . 0.2 OUTLIER 72.56 71.21 0.14 Allowed 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.501 1.921 . . . . 0.0 109.773 179.365 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.46 115.03 4.26 Favored 'General case' 0 N--CA 1.43 -1.474 0 N-CA-C 115.17 1.544 . . . . 0.0 115.17 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.413 HD12 ' O ' ' B' ' 46' ' ' ASN . 3.9 mp -108.56 108.05 60.62 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 100.757 -3.794 . . . . 0.0 100.757 167.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -68.38 158.65 56.68 Favored 'Trans proline' 0 C--N 1.3 -2.008 0 C-N-CA 123.287 2.658 . . . . 0.0 117.666 156.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -89.12 120.72 30.76 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-N 113.512 -1.676 . . . . 0.0 108.301 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 34.8 mtm180 -66.64 -24.7 66.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.602 -1.311 . . . . 0.0 112.267 175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.7 t -69.54 -45.47 78.15 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.725 1.61 . . . . 0.0 112.045 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.13 80.04 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 127.477 2.311 . . . . 0.0 112.712 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 8.0 tm0? -69.83 -23.89 63.37 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.704 -1.873 . . . . 0.0 113.265 173.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -91.6 -43.04 9.87 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 118.872 -2.393 . . . . 0.0 114.003 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.409 HD12 ' HA ' ' B' ' 56' ' ' LEU . 12.1 tp -62.1 -52.11 65.2 Favored 'General case' 0 N--CA 1.429 -1.493 0 O-C-N 120.411 -1.431 . . . . 0.0 113.048 -178.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.87 -17.25 51.27 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 116.789 2.144 . . . . 0.0 116.789 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -62.88 36.23 0.07 OUTLIER Glycine 0 N--CA 1.43 -1.73 0 C-N-CA 127.899 2.666 . . . . 0.0 118.762 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt 58.63 143.32 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 129.53 3.132 . . . . 0.0 117.313 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -75.38 157.38 34.3 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.356 -2.09 . . . . 0.0 111.237 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.6 t -79.94 132.16 35.99 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.236 -1.54 . . . . 0.0 112.819 178.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 23.6 tp . . . . . 0 C--O 1.26 1.624 0 C-N-CA 126.0 1.72 . . . . 0.0 111.919 -177.587 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O4'-C1'-C2' 102.598 -3.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.914 0 O4'-C1'-C2' 102.751 -3.044 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.958 0 O5'-C5'-C4' 114.111 2.794 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.899 1 O5'-C5'-C4' 116.092 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 1 P-O3'-C3' 126.804 5.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.874 0 O5'-C5'-C4' 114.128 2.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.873 0 OP1-P-OP2 114.945 -3.103 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.851 1 O5'-C5'-C4' 115.865 4.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.901 2 O4'-C1'-C2' 100.898 -4.73 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O5'-C5'-C4' 114.607 3.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . 0.504 ' C5 ' ' C6 ' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.917 0 O4'-C1'-N19 106.045 -2.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.505 H2'' ' C6 ' ' C' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O4'-C1'-N19 111.0 4.0 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . 0.505 ' C6 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.89 3 O4'-C1'-N19 113.339 6.924 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 OP1-P-OP2 114.126 -3.65 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.851 0 O5'-C5'-C4' 114.887 3.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.944 0 OP1-P-OP2 115.718 -2.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 O5'-C5'-C4' 114.463 3.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 P-O5'-C5' 115.776 -3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 OP1-P-OP2 114.676 -3.282 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.906 1 O4'-C1'-N19 111.094 4.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 0 O4'-C1'-N19 109.712 2.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.857 0 C4'-C3'-C2' 99.275 -3.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 0 C3'-C2'-C1' 97.813 -3.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 0 O5'-C5'-C4' 114.221 2.872 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.939 0 O5'-C5'-C4' 114.4 3.0 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.849 1 P-O5'-C5' 113.986 -4.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 OP1-P-OP2 114.143 -3.638 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.817 0 OP1-P-OP2 116.126 -2.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.888 0 OP1-P-OP2 115.266 -2.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 OP1-P-OP2 115.845 -2.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.912 2 O4'-C1'-N19 111.929 5.161 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 OP1-P-OP2 114.862 -3.159 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.912 0 C3'-C2'-C1' 106.25 2.536 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.425 H2'' ' C6 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.905 0 O4'-C1'-N19 110.211 3.014 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.425 ' C6 ' H2'' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.904 2 O4'-C1'-N19 112.74 6.175 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.974 0 C5'-C4'-C3' 110.804 -2.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.881 1 O5'-C5'-C4' 116.9 4.786 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.947 0 OP1-P-OP2 114.723 -3.252 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.968 0 O5'-C5'-C4' 113.544 2.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.916 0 O4'-C1'-C2' 102.292 -3.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 O4'-C1'-C2' 103.214 -2.624 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O4'-C1'-N19 110.566 3.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.902 0 OP1-P-OP2 115.244 -2.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.881 0 C4'-C3'-C2' 99.598 -3.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 ptp . . . . . 0 CA--C 1.49 -1.36 0 N-CA-C 116.917 2.191 . . . . 0.0 116.917 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -80.58 158.0 71.67 Favored Pre-proline 0 N--CA 1.431 -1.419 0 O-C-N 120.125 -1.609 . . . . 0.0 111.498 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_exo -37.18 146.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.299 -2.039 0 N-CA-C 120.864 3.371 . . . . 0.0 120.864 156.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.2 t -128.52 167.31 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.9 p -137.27 162.78 32.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.826 -1.796 . . . . 0.0 107.572 175.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.74 -30.03 42.4 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.47 1.656 . . . . 0.0 115.47 171.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -69.09 -39.27 79.11 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 127.392 2.277 . . . . 0.0 112.873 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -69.56 -38.37 77.39 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.986 1.314 . . . . 0.0 110.89 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.8 t -67.03 -45.31 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 127.538 2.335 . . . . 0.0 111.198 172.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.55 -55.04 39.92 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 125.936 1.694 . . . . 0.0 114.368 175.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.38 -36.97 76.77 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.664 1.586 . . . . 0.0 114.031 177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 43.9 t80 -66.49 -49.78 65.44 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 124.123 0.969 . . . . 0.0 112.531 173.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -74.05 -27.1 60.76 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.987 -1.696 . . . . 0.0 113.008 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.39 29.05 6.48 Favored Glycine 0 N--CA 1.43 -1.744 0 C-N-CA 125.934 1.73 . . . . 0.0 114.124 177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.6 m -122.07 -170.53 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 125.134 1.374 . . . . 0.0 111.467 -172.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 t -92.89 160.51 14.88 Favored 'General case' 0 N--CA 1.43 -1.471 0 CA-C-O 122.793 1.282 . . . . 0.0 108.737 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.9 p90 -66.21 -32.66 74.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 119.493 -2.005 . . . . 0.0 113.104 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -76.5 -18.23 58.85 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 121.087 -1.008 . . . . 0.0 112.298 173.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 91.2 m -67.73 -45.58 74.59 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.369 -1.457 . . . . 0.0 110.369 173.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.407 ' O ' HG23 ' A' ' 24' ' ' VAL . 94.3 t -55.27 -58.16 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.522 0 C-N-CA 125.666 1.586 . . . . 0.0 115.25 178.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.8 p -58.14 -31.22 66.99 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -67.7 -17.08 64.45 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.8 t -90.56 -55.77 5.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.446 0 O-C-N 119.854 -1.778 . . . . 0.0 108.113 174.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 20' ' ' VAL . 60.6 t -49.63 -50.93 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 129.368 3.067 . . . . 0.0 114.831 -179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -98.84 12.19 36.48 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.859 1.264 . . . . 0.0 112.44 -178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 56.09 74.7 0.37 Allowed 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 127.162 2.185 . . . . 0.0 116.318 172.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.92 175.27 5.67 Favored 'General case' 0 N--CA 1.431 -1.381 0 C-N-CA 124.723 1.209 . . . . 0.0 110.574 174.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.6 m -72.09 -77.38 0.1 Allowed 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 118.602 2.816 . . . . 0.0 118.602 -174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -73.81 63.05 0.86 Allowed 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 119.212 3.042 . . . . 0.0 119.212 -168.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 t -131.39 110.63 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 120.677 -1.265 . . . . 0.0 107.594 171.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 t -63.06 145.43 55.46 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.026 1.33 . . . . 0.0 113.07 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.84 -42.8 37.52 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 126.438 1.895 . . . . 0.0 115.995 -176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -54.83 -36.9 65.49 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 126.457 1.903 . . . . 0.0 113.979 175.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 43.4 m -75.69 -49.67 17.64 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.474 -1.391 . . . . 0.0 110.788 175.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 -53.71 -44.63 69.97 Favored 'General case' 0 CA--C 1.489 -1.381 0 O-C-N 120.799 -1.188 . . . . 0.0 113.743 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -58.13 -22.29 50.31 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.843 2.164 . . . . 0.0 116.843 175.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -92.1 -39.16 11.76 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.033 1.333 . . . . 0.0 109.162 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 t -67.93 -41.26 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.413 0 O-C-N 119.731 -1.856 . . . . 0.0 113.002 174.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -65.54 -17.71 64.77 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 120.62 -1.3 . . . . 0.0 114.085 176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -78.82 -34.37 45.34 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 124.592 1.157 . . . . 0.0 110.7 170.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.517 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -67.43 -45.05 77.2 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.06 -1.65 . . . . 0.0 113.69 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.4 mtt -53.55 -30.64 42.9 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.188 1.395 . . . . 0.0 113.961 168.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.37 -28.67 26.82 Favored 'General case' 0 N--CA 1.429 -1.484 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -173.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -78.28 -55.87 4.91 Favored 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 124.417 2.056 . . . . 0.0 110.031 176.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.6 mt -79.17 -12.99 59.99 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 113.456 -1.702 . . . . 0.0 114.972 -174.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.417 0.6 OUTLIER 56.45 47.81 18.1 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 128.444 2.697 . . . . 0.0 114.869 -177.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -37.16 114.52 0.33 Allowed 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 127.432 2.293 . . . . 0.0 116.395 -178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.3 mp -95.75 106.95 30.76 Favored Pre-proline 0 N--CA 1.43 -1.453 0 N-CA-C 105.404 -2.073 . . . . 0.0 105.404 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -46.65 132.51 16.58 Favored 'Trans proline' 0 N--CA 1.434 -2.012 0 N-CA-C 120.201 3.116 . . . . 0.0 120.201 157.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -88.05 103.24 15.54 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -72.45 -13.07 61.35 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 119.449 -2.032 . . . . 0.0 114.68 -176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 22.6 t -75.66 -42.15 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.46 0 C-N-CA 126.883 2.073 . . . . 0.0 110.332 174.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.35 -30.79 71.43 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 127.216 2.206 . . . . 0.0 112.942 172.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -79.6 -16.31 56.09 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.117 -1.614 . . . . 0.0 112.997 174.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -89.79 -51.17 5.64 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.612 -1.305 . . . . 0.0 111.606 177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.0 tp -61.31 -55.0 36.75 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 124.909 1.284 . . . . 0.0 113.788 -175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.83 -5.73 45.13 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 117.064 2.246 . . . . 0.0 117.064 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -61.41 51.05 0.04 OUTLIER Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 128.288 2.852 . . . . 0.0 119.738 -175.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -72.09 165.45 24.3 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.994 1.718 . . . . 0.0 114.227 176.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -102.02 119.8 39.38 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.353 -1.467 . . . . 0.0 113.347 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.7 p -90.86 -72.21 0.59 Allowed 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.541 -1.35 . . . . 0.0 109.298 172.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.7 tp . . . . . 0 C--O 1.26 1.648 0 C-N-CA 125.949 1.7 . . . . 0.0 109.993 177.656 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 CA--C 1.491 -1.314 0 N-CA-C 117.137 2.273 . . . . 0.0 117.137 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -76.25 174.8 5.06 Favored Pre-proline 0 N--CA 1.43 -1.455 0 O-C-N 119.664 -1.897 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -56.31 161.56 9.05 Favored 'Trans proline' 0 N--CA 1.434 -2.006 0 C-N-CA 123.549 2.832 . . . . 0.0 117.477 156.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 10.8 t -137.0 165.97 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 103.055 -2.943 . . . . 0.0 103.055 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 48.5 p -136.78 163.65 30.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.148 -1.595 . . . . 0.0 107.513 174.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.98 -28.24 50.16 Favored 'General case' 0 N--CA 1.431 -1.38 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 170.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -69.13 -37.61 78.41 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 126.979 2.112 . . . . 0.0 113.427 174.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -70.13 -42.28 72.81 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.141 1.776 . . . . 0.0 110.019 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 t -65.04 -47.27 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.032 2.133 . . . . 0.0 110.529 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.82 -54.29 44.16 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.576 1.55 . . . . 0.0 114.119 175.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -62.9 -35.41 79.94 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -63.8 -50.55 68.5 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 123.813 0.845 . . . . 0.0 112.969 173.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -76.48 -29.88 57.05 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 121.314 -0.866 . . . . 0.0 112.473 -174.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.8 43.41 2.66 Favored Glycine 0 N--CA 1.43 -1.735 0 C-N-CA 124.892 1.234 . . . . 0.0 112.521 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.43 -164.4 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.477 0 C-N-CA 125.463 1.505 . . . . 0.0 108.873 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -102.96 168.92 8.89 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.403 -1.435 . . . . 0.0 108.769 173.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -70.8 -34.61 71.94 Favored 'General case' 0 N--CA 1.431 -1.382 0 O-C-N 118.982 -2.324 . . . . 0.0 112.481 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -73.39 -20.62 60.7 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 123.379 0.672 . . . . 0.0 112.271 174.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.2 m -66.31 -49.59 66.52 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.287 -1.508 . . . . 0.0 110.675 174.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.434 ' O ' HG23 ' B' ' 24' ' ' VAL . 96.1 t -52.27 -60.07 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 116.083 1.883 . . . . 0.0 116.083 178.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 66.4 p -59.28 -29.57 67.68 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 -176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -68.13 -16.49 64.03 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 120.752 -1.217 . . . . 0.0 114.049 172.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.5 t -89.55 -56.35 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 O-C-N 119.989 -1.694 . . . . 0.0 108.263 174.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 20' ' ' VAL . 45.6 t -49.28 -53.52 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 129.159 2.984 . . . . 0.0 115.666 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -92.43 -1.68 56.83 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.237 -1.54 . . . . 0.0 111.899 -176.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 67.24 76.69 0.28 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 127.616 2.366 . . . . 0.0 115.891 174.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.0 -175.62 3.2 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 125.352 1.461 . . . . 0.0 111.04 173.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 59.8 m -82.68 -72.93 0.42 Allowed 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 117.689 2.477 . . . . 0.0 117.689 -173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -76.77 65.28 2.48 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 -168.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.7 t -134.61 109.88 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 170.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.0 t -63.0 142.75 58.26 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 124.808 1.243 . . . . 0.0 112.075 179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -44.16 -44.88 8.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.852 2.461 . . . . 0.0 116.538 -176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -56.4 -36.6 69.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 126.979 2.112 . . . . 0.0 114.189 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 98.6 m -75.2 -49.56 19.04 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.653 -1.279 . . . . 0.0 110.325 174.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 -53.01 -44.89 67.61 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.484 -1.385 . . . . 0.0 113.824 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -57.09 -23.9 50.17 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -91.88 -36.89 13.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 124.86 1.264 . . . . 0.0 109.229 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.18 -44.13 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.513 0 O-C-N 120.588 -1.32 . . . . 0.0 111.648 174.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.31 -26.48 68.44 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 121.117 -0.989 . . . . 0.0 112.28 176.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.42 -32.7 66.56 Favored 'General case' 0 N--CA 1.429 -1.477 0 O-C-N 120.344 -1.473 . . . . 0.0 112.09 170.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.518 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -69.99 -40.81 75.1 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.441 -1.412 . . . . 0.0 114.067 177.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 32.0 mtt -55.09 -35.27 64.4 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 125.18 1.392 . . . . 0.0 113.361 168.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.12 -29.38 38.93 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 -171.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -78.82 -52.39 8.41 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-O 124.308 2.004 . . . . 0.0 111.022 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 16.2 mt -80.57 -19.0 46.61 Favored 'General case' 0 N--CA 1.429 -1.487 0 CA-C-N 113.579 -1.646 . . . . 0.0 113.903 -175.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.519 0.5 OUTLIER 61.02 57.91 2.42 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 127.255 2.222 . . . . 0.0 113.394 -175.251 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -48.31 115.24 1.14 Allowed 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.088 2.155 . . . . 0.0 116.078 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.2 mp -93.88 114.4 63.01 Favored Pre-proline 0 N--CA 1.43 -1.437 0 N-CA-C 103.716 -2.698 . . . . 0.0 103.716 173.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -55.85 132.96 55.16 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 C-N-CA 123.542 2.828 . . . . 0.0 116.607 154.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -91.0 105.11 17.6 Favored 'General case' 0 N--CA 1.431 -1.388 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 170.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -71.95 -18.6 62.0 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.357 -2.089 . . . . 0.0 114.118 -172.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 19.4 t -68.66 -40.39 81.65 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 126.503 1.921 . . . . 0.0 111.245 174.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.19 77.83 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.153 2.181 . . . . 0.0 113.165 172.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -74.01 -20.62 60.27 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 119.854 -1.779 . . . . 0.0 113.032 174.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -86.04 -54.36 4.53 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.62 -1.3 . . . . 0.0 111.95 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 56' ' ' LEU . 10.1 tp -58.65 -49.57 77.04 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 115.842 1.793 . . . . 0.0 115.842 -175.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.72 59.79 Favored 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 175.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -63.04 51.14 0.06 OUTLIER Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 128.153 2.787 . . . . 0.0 118.881 -170.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -72.61 164.28 26.72 Favored 'General case' 0 N--CA 1.43 -1.475 0 C-N-CA 125.945 1.698 . . . . 0.0 114.453 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -96.86 122.46 39.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.561 -1.337 . . . . 0.0 113.883 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 15.5 p -95.79 -74.85 0.54 Allowed 'General case' 0 N--CA 1.431 -1.409 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 172.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 20.0 tp . . . . . 0 C--O 1.26 1.65 0 C-N-CA 124.799 1.24 . . . . 0.0 108.704 175.007 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.019 0 O4'-C1'-C2' 102.236 -3.513 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.808 0 O5'-C5'-C4' 115.048 3.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.82 0 O5'-C5'-C4' 113.974 2.696 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.875 0 O4'-C1'-C2' 102.02 -3.709 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.95 0 OP1-P-OP2 115.792 -2.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 OP1-P-OP2 114.943 -3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.933 0 O5'-C5'-C4' 113.303 2.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.955 0 O5'-C5'-C4' 114.939 3.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.873 0 OP1-P-OP2 114.587 -3.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.849 0 O4'-C1'-C2' 102.195 -3.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.945 0 O5'-C5'-C4' 113.726 2.519 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.422 H2'' ' C6 ' ' C' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 1.956 0 OP1-P-OP2 114.837 -3.175 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . 0.422 ' C6 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.892 3 O5'-C5'-C4' 116.266 4.333 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.87 0 O4'-C1'-N19 109.804 2.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.836 0 O5'-C5'-C4' 114.751 3.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.944 0 C3'-C2'-C1' 99.294 -2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O5'-C5'-C4' 114.396 2.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 O4'-C1'-C2' 102.077 -3.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.948 0 O4'-C1'-C2' 103.173 -2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.966 0 OP1-P-OP2 115.227 -2.916 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.912 0 O5'-C5'-C4' 115.55 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.845 0 OP1-P-OP2 115.154 -2.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 C3'-C2'-C1' 98.295 -3.146 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.964 1 O4'-C1'-C2' 101.204 -4.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.845 0 O5'-C5'-C4' 114.43 3.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 O4'-C1'-C2' 102.141 -3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.976 0 OP1-P-OP2 115.589 -2.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.903 0 P-O3'-C3' 123.252 2.96 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.03 0 O5'-C5'-C4' 114.814 3.296 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.902 0 O4'-C1'-C2' 102.074 -3.66 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.0 0 P-O3'-C3' 122.98 2.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 P-O5'-C5' 116.688 -2.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.832 0 O5'-C5'-C4' 113.766 2.547 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.816 0 O4'-C1'-C2' 102.833 -2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 2 O4'-C1'-N19 111.239 4.299 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.781 0 OP1-P-OP2 116.136 -2.309 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.016 0 O5'-C5'-C4' 115.2 3.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.866 0 C3'-C2'-C1' 98.913 -2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.822 0 C5'-C4'-C3' 111.137 -2.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.958 1 O4'-C1'-C2' 101.441 -4.236 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.92 0 O4'-C1'-C2' 102.882 -2.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 0 O5'-C5'-C4' 115.332 3.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.881 0 O5'-C5'-C4' 114.586 3.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O5'-C5'-C4' 114.33 2.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 CA--C 1.49 -1.349 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.32 141.47 73.73 Favored Pre-proline 0 N--CA 1.43 -1.457 0 O-C-N 119.62 -1.925 . . . . 0.0 109.088 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -65.21 162.43 33.17 Favored 'Trans proline' 0 N--CA 1.434 -2.011 0 N-CA-C 118.405 2.425 . . . . 0.0 118.405 154.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.6 t -137.33 165.87 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 N-CA-C 101.311 -3.589 . . . . 0.0 101.311 177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.8 p -130.2 161.87 30.18 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 119.724 1.147 . . . . 0.0 108.833 179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.421 HD23 ' H ' ' A' ' 7' ' ' TYR . 1.1 pt? -48.57 -35.6 13.78 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.395 1.878 . . . . 0.0 115.12 171.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.421 ' H ' HD23 ' A' ' 6' ' ' LEU . 72.9 m-85 -67.58 -39.75 84.87 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 127.325 2.25 . . . . 0.0 112.755 175.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -70.85 -38.14 73.16 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.699 -1.25 . . . . 0.0 111.712 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.16 -45.61 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 C-N-CA 126.468 1.907 . . . . 0.0 110.825 172.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -55.31 35.1 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.633 1.573 . . . . 0.0 114.82 174.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -64.98 -28.9 69.83 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 177.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -69.45 -51.27 37.78 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 121.09 -1.006 . . . . 0.0 112.076 172.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -73.71 -18.91 60.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.319 -1.488 . . . . 0.0 113.142 -177.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 85.06 44.81 6.16 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 125.861 1.696 . . . . 0.0 111.754 178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -131.61 178.44 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.422 0 C-N-CA 125.191 1.396 . . . . 0.0 110.824 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.2 t -80.68 158.79 25.48 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 120.699 -1.251 . . . . 0.0 110.619 173.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -67.46 -31.34 71.44 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.936 -1.728 . . . . 0.0 113.985 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -77.28 -15.79 59.28 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.005 -1.684 . . . . 0.0 112.086 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.5 m -68.85 -41.53 78.34 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.441 -2.037 . . . . 0.0 110.002 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.81 -56.16 19.72 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.184 1.393 . . . . 0.0 113.91 174.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.8 p -61.42 -27.49 68.58 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.3 mtp85 -72.29 -11.51 60.74 Favored 'General case' 0 N--CA 1.429 -1.502 0 C-N-CA 125.617 1.567 . . . . 0.0 113.781 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 t -99.84 -49.19 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 119.415 -2.053 . . . . 0.0 109.696 170.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.8 t -60.98 -57.49 11.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 C-N-CA 127.869 2.468 . . . . 0.0 114.109 -176.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -108.95 -58.5 2.01 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 120.767 -1.208 . . . . 0.0 112.632 -175.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -93.96 60.21 2.84 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 122.793 1.282 . . . . 0.0 113.394 -172.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.14 90.29 0.87 Allowed 'General case' 0 N--CA 1.429 -1.51 0 N-CA-C 118.797 2.888 . . . . 0.0 118.797 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.0 p -162.4 145.51 11.42 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 124.932 1.293 . . . . 0.0 108.322 170.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 58.29 41.31 23.51 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.097 1.359 . . . . 0.0 113.025 -170.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.56 131.35 34.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 O-C-N 121.042 -1.036 . . . . 0.0 111.514 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.6 t -84.75 119.01 24.8 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.496 -1.378 . . . . 0.0 109.468 176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.78 -38.91 83.16 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 126.281 1.832 . . . . 0.0 115.226 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -63.78 -51.33 65.28 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 125.959 1.704 . . . . 0.0 111.221 176.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.2 m -61.92 -45.79 92.15 Favored 'General case' 0 N--CA 1.43 -1.466 0 C-N-CA 127.106 2.162 . . . . 0.0 115.017 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -42.79 -54.51 4.08 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.654 2.094 . . . . 0.0 116.654 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.12 -12.02 60.16 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 115.797 1.777 . . . . 0.0 115.797 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -88.03 -40.67 13.66 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.824 -1.797 . . . . 0.0 108.946 177.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.1 t -75.49 -37.57 37.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.45 -1.406 . . . . 0.0 112.013 177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -63.8 -23.21 67.27 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.135 -1.603 . . . . 0.0 112.72 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.19 -30.96 62.47 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 120.689 -1.257 . . . . 0.0 112.456 171.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -67.19 -42.88 83.47 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.936 -1.727 . . . . 0.0 114.555 176.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.2 mtt -50.27 -33.45 19.87 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 126.992 2.117 . . . . 0.0 114.755 168.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.35 -39.09 59.7 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 -174.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -73.68 -59.45 2.71 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -177.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.04 -22.19 42.63 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.778 1.231 . . . . 0.0 113.569 -174.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 73.71 66.73 0.1 Allowed 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 127.494 2.317 . . . . 0.0 112.03 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -56.66 126.3 26.1 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.8 mm -100.62 113.5 65.59 Favored Pre-proline 0 N--CA 1.43 -1.452 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -54.47 113.17 1.24 Allowed 'Trans proline' 0 N--CA 1.434 -2.007 0 CA-C-N 123.741 2.372 . . . . 0.0 114.569 149.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -84.62 125.7 32.7 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.2 mmt180 -76.97 -39.12 51.69 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.641 -1.912 . . . . 0.0 112.568 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.517 HG13 HG13 ' B' ' 52' ' ' VAL . 14.4 t -56.78 -43.53 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.963 2.505 . . . . 0.0 112.231 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.53 -28.59 68.54 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 128.472 2.709 . . . . 0.0 114.167 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -89.4 -17.37 28.93 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 119.63 -1.918 . . . . 0.0 110.67 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -88.16 -45.76 9.85 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' HA ' HD12 ' A' ' 56' ' ' LEU . 10.2 tp -65.33 -42.37 93.02 Favored 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 121.263 1.847 . . . . 0.0 114.359 -176.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.05 -79.78 0.05 OUTLIER 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 128.469 2.708 . . . . 0.0 108.422 169.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.57 7.24 0.03 OUTLIER Glycine 0 N--CA 1.431 -1.696 1 N-CA-C 124.167 4.427 . . . . 0.0 124.167 171.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . 0.275 86.5 tttt 70.02 124.6 0.03 OUTLIER 'General case' 0 N--CA 1.429 -1.48 0 CA-C-O 124.54 2.114 . . . . 0.0 114.857 -176.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -89.3 142.8 27.33 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 120.097 -1.627 . . . . 0.0 111.951 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.7 p -86.21 153.72 21.82 Favored 'General case' 0 N--CA 1.431 -1.388 0 CA-C-O 123.346 1.546 . . . . 0.0 112.666 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 60.8 tp . . . . . 0 C--O 1.26 1.639 0 C-N-CA 125.056 1.342 . . . . 0.0 107.509 179.169 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtm . . . . . 0 CA--C 1.49 -1.36 0 N-CA-C 116.431 2.012 . . . . 0.0 116.431 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -77.47 138.48 63.38 Favored Pre-proline 0 N--CA 1.43 -1.451 0 O-C-N 118.944 -2.348 . . . . 0.0 109.432 178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -63.71 160.07 38.34 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 N-CA-C 118.638 2.515 . . . . 0.0 118.638 155.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 29.9 t -137.96 163.01 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 N-CA-C 101.999 -3.334 . . . . 0.0 101.999 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.9 p -127.68 162.7 25.94 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 120.448 1.476 . . . . 0.0 108.936 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.409 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.9 OUTLIER -51.47 -33.52 31.56 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.065 1.746 . . . . 0.0 115.25 172.496 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.409 ' H ' HD23 ' B' ' 6' ' ' LEU . 71.0 m-85 -68.74 -39.38 80.38 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 127.119 2.168 . . . . 0.0 112.636 176.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -69.53 -38.17 77.41 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.575 1.55 . . . . 0.0 111.835 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 t -68.95 -42.73 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.195 2.198 . . . . 0.0 110.599 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.98 -50.88 71.99 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 174.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -65.87 -33.56 76.12 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 120.085 -1.634 . . . . 0.0 114.479 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -67.44 -47.2 70.87 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.075 -2.266 . . . . 0.0 113.324 173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -76.72 -19.74 57.34 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.44 -2.038 . . . . 0.0 113.061 -178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.28 35.23 7.61 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 125.464 1.507 . . . . 0.0 112.092 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.7 m -125.09 179.95 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 125.262 1.425 . . . . 0.0 110.956 -177.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.4 t -84.24 160.34 20.8 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 124.831 1.252 . . . . 0.0 110.316 173.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -70.02 -33.14 71.62 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 119.479 -2.013 . . . . 0.0 114.614 -177.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -73.55 -19.02 61.01 Favored 'General case' 0 N--CA 1.431 -1.421 0 O-C-N 120.645 -1.284 . . . . 0.0 112.208 173.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.2 m -66.32 -42.87 87.58 Favored 'General case' 0 N--CA 1.429 -1.488 0 O-C-N 120.064 -1.647 . . . . 0.0 110.772 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 39.6 t -60.14 -54.65 31.94 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 125.255 1.422 . . . . 0.0 113.944 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 77.3 p -62.93 -24.8 68.03 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.277 1.954 . . . . 0.0 116.277 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -77.13 -6.24 52.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 124.861 1.265 . . . . 0.0 113.679 173.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 47.2 t -101.08 -49.86 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 O-C-N 119.609 -1.932 . . . . 0.0 108.332 171.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.6 -60.49 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 C-N-CA 127.775 2.43 . . . . 0.0 113.971 -174.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -106.08 -59.34 1.79 Allowed 'General case' 0 N--CA 1.429 -1.501 0 O-C-N 121.078 -1.013 . . . . 0.0 112.766 -178.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -89.94 56.73 3.57 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.65 -1.281 . . . . 0.0 113.405 -172.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.74 87.05 0.34 Allowed 'General case' 0 N--CA 1.429 -1.489 0 N-CA-C 118.581 2.808 . . . . 0.0 118.581 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 26.0 p -159.85 144.7 15.07 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.305 1.442 . . . . 0.0 108.426 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.401 ' CE1' " H3'" ' D' ' 3' ' ' ' DA' . 27.8 m-70 58.63 39.15 24.92 Favored 'General case' 0 N--CA 1.429 -1.477 0 C-N-CA 125.616 1.566 . . . . 0.0 112.578 -169.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 37.8 t -75.98 131.1 35.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.473 0 O-C-N 120.302 -1.499 . . . . 0.0 112.821 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 27.0 t -82.66 115.81 21.77 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.072 -1.643 . . . . 0.0 109.328 175.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.01 -34.81 70.43 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 117.096 2.258 . . . . 0.0 117.096 -176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -68.68 -48.01 65.02 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 125.819 1.647 . . . . 0.0 111.6 177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 11.8 m -65.08 -44.05 90.2 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.956 1.703 . . . . 0.0 114.145 178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 19.7 ttt180 -42.24 -54.68 3.6 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 116.299 1.962 . . . . 0.0 116.299 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -65.46 -16.46 63.66 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.633 2.086 . . . . 0.0 116.633 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -84.23 -43.3 15.02 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-O 122.84 1.305 . . . . 0.0 108.787 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 12.6 t -70.79 -40.5 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 O-C-N 120.63 -1.294 . . . . 0.0 112.619 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -65.15 -20.31 66.39 Favored 'General case' 0 N--CA 1.43 -1.462 0 O-C-N 121.224 -0.923 . . . . 0.0 112.921 177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.68 -30.22 59.3 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.528 -1.358 . . . . 0.0 112.91 170.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.581 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -70.48 -42.67 71.07 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 119.394 -2.066 . . . . 0.0 114.361 178.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 48.6 mtt -51.67 -32.72 30.75 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.402 1.881 . . . . 0.0 113.425 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.05 -37.66 46.29 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -173.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -73.41 -57.88 3.7 Favored 'General case' 0 N--CA 1.429 -1.483 0 CA-C-O 123.09 1.424 . . . . 0.0 112.262 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -74.91 -21.72 59.05 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 126.073 1.749 . . . . 0.0 115.708 -175.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 69.44 66.27 0.26 Allowed 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 127.042 2.137 . . . . 0.0 110.322 -177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -57.75 126.31 26.84 Favored 'General case' 0 N--CA 1.429 -1.491 0 N-CA-C 115.622 1.712 . . . . 0.0 115.622 -178.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 19.6 mm -99.99 113.61 65.28 Favored Pre-proline 0 N--CA 1.431 -1.406 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 174.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -53.07 111.57 0.7 Allowed 'Trans proline' 0 N--CA 1.434 -1.987 0 CA-C-N 124.417 2.613 . . . . 0.0 115.068 150.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -83.6 126.55 32.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 CA-C-O 122.696 1.236 . . . . 0.0 107.728 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -78.2 -36.78 46.89 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 120.712 -1.242 . . . . 0.0 112.951 -174.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.517 HG13 HG13 ' A' ' 52' ' ' VAL . 24.9 t -61.17 -40.54 86.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 127.018 2.127 . . . . 0.0 111.773 177.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.53 -26.48 68.58 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.705 2.402 . . . . 0.0 115.317 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -90.31 -18.66 25.18 Favored 'General case' 0 N--CA 1.431 -1.391 0 O-C-N 119.595 -1.941 . . . . 0.0 110.487 175.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -88.68 -43.94 10.95 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.137 -1.602 . . . . 0.0 115.012 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 tp -67.53 -42.39 82.81 Favored 'General case' 0 N--CA 1.431 -1.423 0 O-C-N 119.52 -1.987 . . . . 0.0 113.623 -177.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.99 -73.78 0.14 Allowed 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.039 2.136 . . . . 0.0 109.91 169.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 58.71 -28.41 0.02 OUTLIER Glycine 0 N--CA 1.431 -1.684 1 N-CA-C 124.488 4.555 . . . . 0.0 124.488 171.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 87.4 tttt 95.08 127.39 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 131.227 3.811 . . . . 0.0 111.826 -169.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -90.15 138.06 31.83 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.953 1.301 . . . . 0.0 110.729 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 88.1 p -84.28 153.31 23.63 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.281 -1.512 . . . . 0.0 112.936 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 64.4 tp . . . . . 0 C--O 1.261 1.663 0 C-N-CA 125.38 1.472 . . . . 0.0 108.435 178.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.92 0 C3'-C2'-C1' 97.724 -3.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.984 0 O4'-C1'-C2' 102.374 -3.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.859 0 P-O5'-C5' 117.33 -2.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.885 1 O5'-C5'-C4' 115.983 4.131 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 O5'-C5'-C4' 114.75 3.25 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.993 0 O5'-C5'-C4' 114.677 3.198 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 0 O5'-C5'-C4' 115.302 3.644 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.977 0 O5'-C5'-C4' 114.277 2.912 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.858 0 O5'-C5'-C4' 113.987 2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.017 0 O5'-C5'-C4' 114.515 3.082 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.848 0 OP1-P-OP2 114.885 -3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.979 0 O5'-C5'-C4' 115.215 3.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.873 2 O4'-C1'-N19 114.267 8.084 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.979 1 O4'-C1'-N19 111.082 4.103 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.823 0 OP1-P-OP2 113.707 -3.928 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.886 0 OP1-P-OP2 115.54 -2.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.936 0 O5'-C5'-C4' 113.646 2.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 O4'-C1'-C2' 102.949 -2.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.854 0 O5'-C5'-C4' 115.296 3.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.828 0 O4'-C1'-N19 109.772 2.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.965 0 O5'-C5'-C4' 114.864 3.331 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.884 0 OP1-P-OP2 115.465 -2.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.995 0 C3'-C2'-C1' 97.411 -3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.006 0 O4'-C1'-C2' 102.745 -3.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . 0.401 " H3'" ' CE1' ' B' ' 29' ' ' HIS . . . . . . . . 0 C3'--C2' 1.537 1.862 0 P-O5'-C5' 115.672 -3.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.016 0 O5'-C5'-C4' 115.506 3.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.813 0 O5'-C5'-C4' 115.781 3.986 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.035 0 O5'-C5'-C4' 115.747 3.962 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.814 0 OP1-P-OP2 115.065 -3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.904 0 OP1-P-OP2 113.886 -3.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.784 0 O4'-C1'-C2' 102.648 -3.138 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.908 0 O5'-C5'-C4' 113.985 2.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.921 0 OP1-P-OP2 114.318 -3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.929 0 O5'-C5'-C4' 114.58 3.129 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.932 1 O4'-C1'-N19 113.277 6.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.436 H2'' ' H6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 2.01 1 O4'-C1'-N19 111.196 4.244 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.436 ' H6 ' H2'' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.536 1.836 0 OP1-P-OP2 115.399 -2.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.786 0 OP1-P-OP2 115.39 -2.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.026 0 OP1-P-OP2 115.337 -2.842 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.774 0 O5'-C5'-C4' 114.979 3.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.85 0 O5'-C5'-C4' 115.671 3.908 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 OP1-P-OP2 115.88 -2.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.035 0 OP1-P-OP2 114.565 -3.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.957 0 OP1-P-OP2 116.006 -2.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 CA--C 1.49 -1.351 0 N-CA-C 114.154 1.168 . . . . 0.0 114.154 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -146.68 91.87 5.2 Favored Pre-proline 0 N--CA 1.429 -1.498 0 O-C-N 119.877 -1.765 . . . . 0.0 106.321 177.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -57.82 146.24 86.9 Favored 'Trans proline' 0 N--CA 1.433 -2.034 0 CA-C-N 123.733 2.369 . . . . 0.0 116.298 153.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -120.08 169.75 10.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 127.595 2.358 . . . . 0.0 105.473 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 p -133.63 163.84 28.53 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 119.272 -2.142 . . . . 0.0 108.417 175.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.456 HD23 ' H ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -49.02 -34.57 13.57 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.314 1.845 . . . . 0.0 115.524 169.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.456 ' H ' HD23 ' A' ' 6' ' ' LEU . 82.8 m-85 -68.43 -38.24 81.01 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.211 1.804 . . . . 0.0 112.972 176.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -71.27 -38.09 71.86 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 120.392 -1.443 . . . . 0.0 110.66 -176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 t -65.86 -45.68 90.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 127.034 2.134 . . . . 0.0 110.709 172.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.42 -54.48 45.1 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 126.4 1.88 . . . . 0.0 114.583 175.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -63.56 -35.29 80.01 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 177.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -66.94 -44.75 79.83 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.713 -1.242 . . . . 0.0 113.137 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.74 -23.64 53.0 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 119.988 -1.695 . . . . 0.0 111.27 -179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.03 39.08 6.21 Favored Glycine 0 N--CA 1.431 -1.644 0 C-N-CA 127.776 2.607 . . . . 0.0 112.477 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 m -124.23 -178.07 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.094 1.358 . . . . 0.0 110.04 -176.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 p -87.74 157.44 19.05 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.764 1.268 . . . . 0.0 110.804 172.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.271 13.9 p90 -59.6 -42.71 93.2 Favored 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 116.736 2.124 . . . . 0.0 116.736 -175.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -75.9 -10.75 59.68 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.401 -2.062 . . . . 0.0 113.792 174.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.5 m -68.34 -36.34 79.12 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.863 -1.148 . . . . 0.0 109.939 175.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.0 t -62.01 -52.74 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 124.571 1.149 . . . . 0.0 113.63 170.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.6 m -57.61 -23.97 53.86 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 117.516 2.413 . . . . 0.0 117.516 178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -72.88 -16.88 61.57 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.929 -1.107 . . . . 0.0 112.956 173.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 43.3 t -93.65 -43.67 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-O 122.968 1.366 . . . . 0.0 109.416 176.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.2 -59.43 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.479 0 C-N-CA 127.421 2.288 . . . . 0.0 114.37 -176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -110.94 -59.18 2.0 Allowed 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.783 -1.198 . . . . 0.0 114.132 -174.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -97.88 63.9 1.69 Allowed 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.98 1.371 . . . . 0.0 112.312 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.16 108.94 3.33 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.0 t -163.59 -72.31 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.449 0 O-C-N 120.632 -1.293 . . . . 0.0 107.759 175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -80.97 58.33 3.39 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.121 -1.612 . . . . 0.0 112.472 172.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 1.8 t -91.0 125.88 43.74 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.469 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.9 t -70.22 -3.7 18.23 Favored 'General case' 0 N--CA 1.43 -1.459 0 N-CA-C 117.084 2.253 . . . . 0.0 117.084 -175.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.24 -50.95 0.65 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt -66.42 -55.14 17.17 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 128.353 2.661 . . . . 0.0 109.962 176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -60.15 -33.39 72.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 126.106 1.762 . . . . 0.0 113.964 175.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -49.67 -46.79 50.18 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 125.968 1.707 . . . . 0.0 115.06 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.65 -22.13 61.47 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -88.27 -40.24 13.79 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.181 0.991 . . . . 0.0 109.14 -177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.4 t -70.46 -44.53 77.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 121.352 -0.842 . . . . 0.0 111.917 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -63.01 -27.11 69.19 Favored 'General case' 0 N--CA 1.431 -1.392 0 O-C-N 121.258 -0.901 . . . . 0.0 112.687 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.97 -30.68 62.64 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.544 1.138 . . . . 0.0 112.176 170.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -70.03 -43.52 71.12 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.917 -1.74 . . . . 0.0 113.691 177.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.2 mtt -57.42 -26.68 61.52 Favored 'General case' 0 N--CA 1.43 -1.452 0 C-N-CA 125.551 1.541 . . . . 0.0 113.949 169.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.08 -41.05 23.16 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.5 1.12 . . . . 0.0 112.767 -174.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -72.7 -61.3 1.85 Allowed 'General case' 0 N--CA 1.431 -1.416 0 CA-C-O 123.351 1.548 . . . . 0.0 112.243 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.1 mt -71.62 -19.91 62.05 Favored 'General case' 0 N--CA 1.431 -1.41 0 C-N-CA 125.822 1.649 . . . . 0.0 113.794 -175.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 66.65 63.12 0.51 Allowed 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.547 1.939 . . . . 0.0 109.937 -179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -55.0 116.73 2.92 Favored 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.91 103.96 22.53 Favored Pre-proline 0 N--CA 1.43 -1.47 0 N-CA-C 102.905 -2.998 . . . . 0.0 102.905 170.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -67.04 156.93 64.16 Favored 'Trans proline' 0 C--N 1.3 -1.984 0 N-CA-C 119.382 2.801 . . . . 0.0 119.382 158.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -101.18 131.0 47.37 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.605 2.362 . . . . 0.0 109.211 174.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -78.7 -35.52 44.86 Favored 'General case' 0 N--CA 1.428 -1.527 0 O-C-N 120.334 -1.478 . . . . 0.0 111.19 175.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.411 ' H ' HG23 ' A' ' 52' ' ' VAL . 3.6 t -56.01 -45.09 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 C-N-CA 129.176 2.991 . . . . 0.0 114.754 178.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.42 97.57 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.643 1.977 . . . . 0.0 112.733 175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -68.5 -24.46 64.67 Favored 'General case' 0 N--CA 1.431 -1.42 0 C-N-CA 126.164 1.785 . . . . 0.0 112.11 175.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -85.99 -49.57 7.73 Favored 'General case' 0 N--CA 1.429 -1.502 0 O-C-N 120.658 -1.276 . . . . 0.0 112.281 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 56' ' ' LEU . 12.4 tp -63.43 -50.52 69.45 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 124.853 1.261 . . . . 0.0 114.04 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.24 -14.11 60.14 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 116.875 2.176 . . . . 0.0 116.875 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -69.97 50.45 0.71 Allowed Glycine 0 N--CA 1.43 -1.76 0 C-N-CA 126.318 1.914 . . . . 0.0 116.666 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -62.47 144.81 55.51 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 125.413 1.485 . . . . 0.0 114.374 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -136.24 168.1 20.05 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.418 -1.426 . . . . 0.0 110.678 -176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.4 t -83.92 162.13 20.59 Favored 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 123.806 0.842 . . . . 0.0 110.495 174.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.689 0 C-N-CA 124.879 1.272 . . . . 0.0 111.18 -174.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 CA--C 1.49 -1.342 0 N-CA-C 115.023 1.49 . . . . 0.0 115.023 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -152.19 93.07 3.43 Favored Pre-proline 0 N--CA 1.43 -1.434 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -60.25 150.46 79.76 Favored 'Trans proline' 0 N--CA 1.433 -2.071 0 CA-C-N 122.469 1.917 . . . . 0.0 116.243 154.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.33 162.54 32.36 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 104.745 -2.317 . . . . 0.0 104.745 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -126.84 162.2 26.46 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.047 -1.658 . . . . 0.0 108.564 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.402 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.8 OUTLIER -48.59 -33.83 10.48 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.305 1.842 . . . . 0.0 115.374 171.181 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.402 ' H ' HD23 ' B' ' 6' ' ' LEU . 89.2 m-85 -69.69 -38.53 77.02 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 126.319 1.848 . . . . 0.0 112.309 176.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -37.92 75.73 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.863 -1.148 . . . . 0.0 111.001 -177.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.8 t -65.98 -45.32 91.2 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 127.271 2.229 . . . . 0.0 110.312 171.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.67 -54.71 42.92 Favored 'General case' 0 N--CA 1.429 -1.491 0 C-N-CA 125.91 1.684 . . . . 0.0 115.473 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -62.8 -36.34 82.81 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 125.145 1.378 . . . . 0.0 114.647 177.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -65.14 -47.34 77.43 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.907 -1.121 . . . . 0.0 112.803 174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -75.96 -27.43 57.51 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.708 -1.87 . . . . 0.0 111.636 -177.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 97.25 38.17 4.37 Favored Glycine 0 N--CA 1.429 -1.774 0 C-N-CA 125.749 1.643 . . . . 0.0 113.224 177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 34.5 m -125.11 -178.27 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 126.011 1.724 . . . . 0.0 111.661 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 5.6 p -86.39 157.02 19.95 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 125.237 1.415 . . . . 0.0 111.149 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . 0.265 16.8 p90 -59.37 -42.31 91.3 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -175.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -75.51 -12.33 60.21 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.493 -2.005 . . . . 0.0 114.236 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 44.4 m -67.13 -34.51 77.75 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.569 -1.332 . . . . 0.0 110.383 174.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 46.7 t -62.68 -54.51 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.399 0 C-N-CA 125.372 1.469 . . . . 0.0 113.033 170.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 50.7 m -56.62 -27.16 57.64 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 116.781 2.141 . . . . 0.0 116.781 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.91 -19.55 65.01 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 124.884 1.274 . . . . 0.0 113.64 173.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -93.27 -46.01 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 CA-C-O 123.062 1.41 . . . . 0.0 109.511 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 52.6 t -66.92 -58.16 7.42 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 127.719 2.408 . . . . 0.0 113.832 -174.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -108.51 -66.01 1.08 Allowed 'General case' 0 N--CA 1.429 -1.496 0 O-C-N 120.566 -1.334 . . . . 0.0 111.878 -176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -94.47 64.46 3.09 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.52 -1.363 . . . . 0.0 113.347 -166.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.96 107.3 1.45 Allowed 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 177.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.1 t -160.7 -77.07 0.06 Allowed 'General case' 0 N--CA 1.431 -1.41 0 O-C-N 120.55 -1.344 . . . . 0.0 108.215 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -79.34 59.12 2.77 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 122.744 1.259 . . . . 0.0 112.817 171.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 t -90.07 128.14 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 172.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 7.1 t -72.5 -6.41 43.65 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 115.881 1.808 . . . . 0.0 115.881 -176.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.55 -49.75 0.69 Allowed 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 126.805 2.042 . . . . 0.0 115.389 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.69 -53.47 40.56 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 128.011 2.525 . . . . 0.0 110.353 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -61.87 -34.84 76.73 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.029 1.732 . . . . 0.0 114.789 174.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -48.22 -46.13 34.86 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.46 -23.94 64.85 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.756 1.762 . . . . 0.0 115.756 177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -87.09 -37.22 17.61 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.128 1.371 . . . . 0.0 109.111 -177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -71.45 -45.61 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 121.045 -1.034 . . . . 0.0 111.415 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -62.71 -28.67 70.11 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 121.269 -0.894 . . . . 0.0 113.089 177.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.17 -31.6 66.07 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 123.784 0.834 . . . . 0.0 112.334 170.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.482 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -68.54 -44.03 75.42 Favored 'General case' 0 N--CA 1.43 -1.429 0 O-C-N 119.289 -2.132 . . . . 0.0 112.765 177.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 34.5 mtt -55.28 -29.04 57.37 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.757 1.623 . . . . 0.0 114.809 168.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.07 -32.24 30.42 Favored 'General case' 0 N--CA 1.431 -1.398 0 C-N-CA 124.331 1.052 . . . . 0.0 113.604 -173.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -79.47 -63.01 1.51 Allowed 'General case' 0 N--CA 1.43 -1.452 0 CA-C-O 122.909 1.338 . . . . 0.0 114.176 -178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.93 -16.73 59.27 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 113.83 -1.532 . . . . 0.0 112.307 -173.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.35 69.64 0.26 Allowed 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 128.635 2.774 . . . . 0.0 109.664 178.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -58.12 113.19 1.8 Allowed 'General case' 0 N--CA 1.429 -1.5 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.6 103.94 21.55 Favored Pre-proline 0 N--CA 1.429 -1.499 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 169.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -65.75 161.78 37.51 Favored 'Trans proline' 0 C--N 1.3 -2.022 0 N-CA-C 120.91 3.388 . . . . 0.0 120.91 158.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -105.12 132.69 51.03 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 126.709 2.004 . . . . 0.0 107.801 173.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -81.52 -33.49 31.8 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 120.272 -1.517 . . . . 0.0 110.746 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.459 ' H ' HG23 ' B' ' 52' ' ' VAL . 3.6 t -55.1 -43.96 72.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 C-N-CA 128.772 2.829 . . . . 0.0 113.732 176.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.9 -27.75 68.42 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 126.897 2.079 . . . . 0.0 113.999 174.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -81.33 -23.18 37.97 Favored 'General case' 0 N--CA 1.431 -1.399 0 O-C-N 119.3 -2.125 . . . . 0.0 110.32 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -85.9 -49.31 7.97 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.874 -1.766 . . . . 0.0 112.854 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 tp -61.52 -52.29 65.11 Favored 'General case' 0 N--CA 1.431 -1.385 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.35 -11.68 59.94 Favored 'General case' 0 N--CA 1.43 -1.442 0 N-CA-C 116.477 2.028 . . . . 0.0 116.477 177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.88 56.55 1.38 Allowed Glycine 0 N--CA 1.43 -1.749 0 C-N-CA 125.618 1.58 . . . . 0.0 113.937 -179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -73.57 142.78 46.61 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 127.158 2.183 . . . . 0.0 112.698 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -133.99 179.11 6.45 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 119.985 -1.697 . . . . 0.0 113.094 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 8.5 t -91.12 158.38 16.67 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.529 1.132 . . . . 0.0 109.092 174.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.259 1.6 0 O-C-N 121.135 -0.978 . . . . 0.0 112.445 -173.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.85 0 C3'-C2'-C1' 98.919 -2.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.924 0 C3'-C2'-C1' 97.77 -3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.804 0 O5'-C5'-C4' 114.261 2.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 1 O5'-C5'-C4' 116.476 4.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.818 0 O5'-C5'-C4' 115.456 3.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.866 0 O5'-C5'-C4' 115.681 3.915 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.968 0 O5'-C5'-C4' 114.456 3.04 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.899 0 O5'-C5'-C4' 114.022 2.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.98 0 O4'-C1'-C2' 103.152 -2.68 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.94 0 O5'-C5'-C4' 113.62 2.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.824 0 O4'-C1'-N19 105.77 -2.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 O5'-C5'-C4' 113.648 2.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.945 2 O4'-C1'-N19 112.723 6.154 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.962 0 OP1-P-OP2 115.564 -2.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 OP1-P-OP2 115.002 -3.066 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.885 1 O4'-C1'-C2' 101.367 -4.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.934 0 O4'-C1'-C2' 104.004 -1.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.803 1 O4'-C1'-C2' 101.5 -4.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 P-O3'-C3' 124.089 3.658 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.837 0 O4'-C1'-N19 110.251 3.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 O4'-C1'-N19 110.667 3.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 OP1-P-OP2 115.461 -2.76 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.888 0 O5'-C5'-C4' 114.352 2.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.877 1 O4'-C1'-N19 111.146 4.182 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.85 0 O5'-C5'-C4' 115.272 3.623 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 P-O5'-C5' 115.0 -3.687 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.01 0 O5'-C5'-C4' 114.996 3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.911 0 O5'-C5'-C4' 115.58 3.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.829 0 O5'-C5'-C4' 113.779 2.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.888 0 OP1-P-OP2 115.334 -2.844 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.97 0 O4'-C1'-C2' 102.851 -2.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.981 0 O4'-C1'-N19 105.914 -2.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.93 0 OP1-P-OP2 115.401 -2.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.975 0 OP1-P-OP2 114.808 -3.194 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.886 1 O4'-C1'-N19 112.702 6.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.953 0 OP1-P-OP2 115.667 -2.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 OP1-P-OP2 114.734 -3.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.967 0 O4'-C1'-C2' 102.031 -3.699 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.94 0 O5'-C5'-C4' 113.768 2.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.921 0 O4'-C1'-C2' 101.992 -3.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.93 0 OP1-P-OP2 115.324 -2.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.906 0 OP1-P-OP2 114.876 -3.149 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 0 O4'-C1'-N19 110.345 3.182 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.989 0 O4'-C1'-N19 109.666 2.332 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.489 -1.368 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . 0.347 5.4 mmtt -64.85 -60.6 7.83 Favored Pre-proline 0 N--CA 1.43 -1.449 0 CA-C-O 114.251 -2.785 . . . . 0.0 114.245 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -83.89 168.87 12.09 Favored 'Trans proline' 0 N--CA 1.433 -2.053 0 CA-C-N 126.164 3.237 . . . . 0.0 108.176 -156.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.7 t -118.6 162.53 16.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.472 0 N-CA-C 102.598 -3.112 . . . . 0.0 102.598 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 p -120.29 160.48 22.91 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 121.611 2.005 . . . . 0.0 108.923 177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.02 -27.81 21.27 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 116.183 1.92 . . . . 0.0 116.183 173.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -70.59 -46.51 63.31 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 128.201 2.601 . . . . 0.0 110.613 173.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.0 -29.03 69.34 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.087 -1.633 . . . . 0.0 113.977 -176.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -71.29 -48.6 53.3 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.403 0 C-N-CA 128.647 2.779 . . . . 0.0 110.574 170.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.51 -54.82 41.29 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 176.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -57.57 -36.04 71.16 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.249 1.82 . . . . 0.0 112.756 177.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -69.49 -45.46 68.88 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.63 -16.65 59.51 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.254 -1.529 . . . . 0.0 110.948 -179.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.38 21.92 28.25 Favored Glycine 0 N--CA 1.43 -1.703 0 C-N-CA 125.467 1.508 . . . . 0.0 113.975 176.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -115.14 -174.18 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 C-N-CA 125.114 1.366 . . . . 0.0 111.266 -175.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.6 t -92.44 155.53 17.8 Favored 'General case' 0 N--CA 1.429 -1.509 0 O-C-N 120.916 -1.115 . . . . 0.0 109.871 173.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -61.58 -30.01 70.4 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 119.143 -2.223 . . . . 0.0 115.592 175.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -72.14 -15.88 61.98 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.834 -1.166 . . . . 0.0 112.164 176.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.3 m -82.05 -44.56 16.45 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.065 -1.647 . . . . 0.0 110.239 177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.4 t -54.73 -49.27 69.82 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.49 0 N-CA-C 117.691 2.478 . . . . 0.0 117.691 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 62.9 p -54.46 -30.17 52.05 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.679 2.474 . . . . 0.0 117.679 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -65.1 -24.63 67.49 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 125.484 1.514 . . . . 0.0 113.027 173.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.41 -46.88 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 CA-C-O 122.788 1.28 . . . . 0.0 109.313 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 63.4 t -55.75 -59.04 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 128.062 2.545 . . . . 0.0 115.48 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -150.21 -21.01 0.25 Allowed 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 116.115 1.895 . . . . 0.0 116.115 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -86.82 55.84 3.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 119.597 -1.939 . . . . 0.0 113.16 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.71 93.93 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 127.667 2.387 . . . . 0.0 116.82 -178.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 t -142.62 -96.86 0.12 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 124.46 1.104 . . . . 0.0 108.716 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -89.25 70.2 8.23 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.323 -1.486 . . . . 0.0 111.321 174.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.9 t -81.78 118.03 28.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 C-N-CA 124.709 1.204 . . . . 0.0 108.696 173.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.0 t -71.88 124.34 24.64 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 119.888 -1.757 . . . . 0.0 110.014 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.67 -30.45 71.47 Favored 'General case' 0 N--CA 1.431 -1.405 0 O-C-N 121.04 -1.037 . . . . 0.0 113.732 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -65.33 -61.26 2.22 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.803 2.041 . . . . 0.0 110.932 173.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -67.32 -35.36 79.28 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 126.487 1.915 . . . . 0.0 115.797 -176.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -43.37 -52.53 5.84 Favored 'General case' 0 N--CA 1.431 -1.414 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -65.4 -10.99 38.23 Favored 'General case' 0 N--CA 1.431 -1.416 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -93.87 -40.73 10.0 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.43 -1.419 . . . . 0.0 109.236 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.2 t -70.49 -42.47 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.136 -1.602 . . . . 0.0 111.649 176.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -53.73 -32.19 51.1 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 174.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.41 -37.71 63.27 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 124.24 1.016 . . . . 0.0 112.525 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -62.4 -48.57 79.15 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 119.452 -2.03 . . . . 0.0 114.641 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.1 ptp -63.54 -14.51 51.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.876 -1.765 . . . . 0.0 114.724 171.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.97 -41.69 13.71 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 124.925 1.29 . . . . 0.0 113.811 176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.5 -45.97 67.69 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.364 -1.46 . . . . 0.0 112.261 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.9 mt -85.31 -21.05 29.12 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 125.653 1.581 . . . . 0.0 113.945 -175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.495 0.6 OUTLIER 65.06 62.39 0.72 Allowed 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 127.609 2.363 . . . . 0.0 113.632 -173.35 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -58.49 123.01 14.75 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 115.972 1.841 . . . . 0.0 115.972 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -103.74 104.83 44.74 Favored Pre-proline 0 N--CA 1.43 -1.429 0 N-CA-C 104.745 -2.316 . . . . 0.0 104.745 172.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -73.1 156.08 51.89 Favored 'Trans proline' 0 C--N 1.3 -2.006 0 CA-C-N 125.332 2.94 . . . . 0.0 115.345 151.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -127.21 142.65 51.43 Favored 'General case' 0 N--CA 1.43 -1.454 0 CA-C-O 122.641 1.21 . . . . 0.0 113.346 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -80.51 40.12 0.49 Allowed 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.835 -1.791 . . . . 0.0 114.596 177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.8 t -113.32 -56.57 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 C-N-CA 127.194 2.198 . . . . 0.0 105.326 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.57 -34.22 70.82 Favored 'General case' 0 N--CA 1.431 -1.412 0 C-N-CA 130.642 3.577 . . . . 0.0 113.198 172.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -80.46 -1.74 42.88 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 174.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -111.41 -63.54 1.4 Allowed 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 119.65 -1.906 . . . . 0.0 113.626 178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tp -49.47 -39.94 35.32 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.023 2.231 . . . . 0.0 117.023 -170.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.77 -27.57 7.5 Favored 'General case' 0 N--CA 1.429 -1.48 0 C-N-CA 129.647 3.179 . . . . 0.0 115.35 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.47 43.36 1.6 Allowed Glycine 0 N--CA 1.43 -1.752 0 C-N-CA 124.606 1.098 . . . . 0.0 114.005 174.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -69.66 138.3 52.89 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -85.08 136.87 33.38 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.933 1.693 . . . . 0.0 112.373 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . 0.255 38.0 m 58.67 -108.62 0.42 Allowed 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 125.917 1.687 . . . . 0.0 114.13 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.0 tp . . . . . 0 C--O 1.26 1.615 0 O-C-N 120.839 -1.163 . . . . 0.0 111.051 -179.127 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.49 -1.334 0 N-CA-C 113.793 1.034 . . . . 0.0 113.793 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -84.48 -48.59 0.65 Allowed Pre-proline 0 N--CA 1.43 -1.448 0 N-CA-C 120.414 3.487 . . . . 0.0 120.414 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.2 159.42 4.19 Favored 'Trans proline' 0 N--CA 1.434 -2.028 0 N-CA-C 120.497 3.23 . . . . 0.0 120.497 156.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 25.4 t -128.32 159.62 39.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 N-CA-C 101.623 -3.473 . . . . 0.0 101.623 175.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 72.1 p -117.35 161.35 19.67 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.825 -1.797 . . . . 0.0 110.473 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.93 -27.9 54.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 114.389 1.255 . . . . 0.0 114.389 171.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -72.11 -40.64 68.01 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 125.646 1.578 . . . . 0.0 111.989 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.18 -31.83 70.73 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.943 1.297 . . . . 0.0 111.441 -175.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.77 -47.1 72.22 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 C-N-CA 128.393 2.677 . . . . 0.0 110.071 171.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.47 -55.01 36.79 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.358 1.614 . . . . 0.0 115.358 175.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -59.25 -34.14 71.87 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 126.752 2.021 . . . . 0.0 114.74 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -73.96 -44.57 54.37 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 123.69 0.796 . . . . 0.0 112.643 175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.98 -17.15 60.58 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.588 -1.945 . . . . 0.0 112.798 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.67 32.26 9.45 Favored Glycine 0 N--CA 1.43 -1.741 0 C-N-CA 125.992 1.758 . . . . 0.0 113.32 176.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -126.12 -178.14 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 O-C-N 121.235 -1.156 . . . . 0.0 110.974 -176.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 35.6 t -87.83 156.6 19.32 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.932 -1.105 . . . . 0.0 109.31 173.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -63.87 -26.81 68.78 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 119.04 -2.288 . . . . 0.0 114.946 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -70.7 -19.9 62.72 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.732 2.013 . . . . 0.0 112.614 173.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 87.7 m -81.19 -44.5 17.74 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 124.529 1.132 . . . . 0.0 109.565 178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 69.5 t -55.28 -49.21 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.434 0 N-CA-C 117.732 2.493 . . . . 0.0 117.732 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 90.9 p -56.52 -29.81 62.3 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 118.093 2.627 . . . . 0.0 118.093 -176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 5.0 mpt_? -63.49 -26.79 68.88 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.512 -1.368 . . . . 0.0 112.712 173.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 20.5 t -85.86 -44.03 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 O-C-N 120.785 -1.197 . . . . 0.0 110.616 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 61.3 t -57.27 -65.74 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 C-N-CA 126.363 1.865 . . . . 0.0 114.694 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.56 -7.27 0.34 Allowed 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -93.56 54.72 2.08 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 118.428 -2.67 . . . . 0.0 112.275 178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.16 87.44 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 127.509 2.324 . . . . 0.0 117.217 -178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 35.3 t -136.27 -98.5 0.22 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.157 1.383 . . . . 0.0 109.268 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -91.32 72.83 6.16 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.126 -1.609 . . . . 0.0 111.086 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 t -83.95 113.46 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 125.063 1.345 . . . . 0.0 109.164 175.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.6 t -70.61 126.59 30.03 Favored 'General case' 0 N--CA 1.43 -1.433 0 O-C-N 120.871 -1.143 . . . . 0.0 110.761 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.44 -36.02 82.34 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.509 -1.37 . . . . 0.0 113.57 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -60.53 -55.0 38.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.245 1.418 . . . . 0.0 112.12 174.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.1 m -70.91 -42.25 70.17 Favored 'General case' 0 N--CA 1.429 -1.515 0 N-CA-C 117.16 2.281 . . . . 0.0 117.16 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -40.71 -52.45 2.94 Favored 'General case' 0 N--CA 1.43 -1.439 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.33 -20.32 58.84 Favored 'General case' 0 N--CA 1.429 -1.483 0 C-N-CA 127.038 2.135 . . . . 0.0 115.525 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -88.98 -40.48 12.99 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-O 123.599 1.666 . . . . 0.0 109.327 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 31.1 t -72.04 -40.81 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.407 0 O-C-N 119.938 -1.726 . . . . 0.0 112.428 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -58.35 -27.93 64.64 Favored 'General case' 0 N--CA 1.431 -1.394 0 C-N-CA 123.721 0.808 . . . . 0.0 112.363 174.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.98 -41.15 60.11 Favored 'General case' 0 N--CA 1.429 -1.499 0 C-N-CA 123.796 0.838 . . . . 0.0 112.779 171.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -62.02 -45.23 94.51 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 118.941 -2.35 . . . . 0.0 114.816 -178.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 1.1 ptp -65.72 -16.55 63.87 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 119.853 -1.779 . . . . 0.0 113.826 173.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.64 -45.41 13.49 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 119.309 0.958 . . . . 0.0 110.894 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.5 -48.36 72.82 Favored 'General case' 0 N--CA 1.43 -1.431 0 CA-C-O 122.409 1.099 . . . . 0.0 112.933 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 14.5 mt -82.75 -16.75 46.76 Favored 'General case' 0 N--CA 1.429 -1.509 0 C-N-CA 126.729 2.012 . . . . 0.0 115.005 -177.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.412 1.4 p-10 60.51 59.24 2.28 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 129.363 3.065 . . . . 0.0 112.834 -175.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -54.29 129.71 36.28 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.22 107.42 55.64 Favored Pre-proline 0 N--CA 1.429 -1.484 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -72.26 154.79 56.6 Favored 'Trans proline' 0 C--N 1.3 -2.017 0 CA-C-N 123.982 2.458 . . . . 0.0 115.593 151.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -125.65 141.44 52.02 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 121.183 -0.948 . . . . 0.0 110.532 178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -81.31 45.12 0.83 Allowed 'General case' 0 N--CA 1.43 -1.429 0 CA-C-O 123.836 1.779 . . . . 0.0 115.241 178.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 33.0 t -116.66 -56.19 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 129.326 3.05 . . . . 0.0 104.974 171.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.34 -36.77 81.1 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 129.377 3.071 . . . . 0.0 112.807 175.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -77.34 -0.45 25.65 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.265 -1.522 . . . . 0.0 114.578 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -114.35 -57.25 2.3 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 119.725 -1.859 . . . . 0.0 115.263 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 tp -53.96 -43.24 69.72 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.657 -1.902 . . . . 0.0 116.003 -174.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.34 -19.73 0.55 Allowed 'General case' 0 N--CA 1.431 -1.425 0 C-N-CA 130.682 3.593 . . . . 0.0 118.433 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.76 29.89 6.02 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 171.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 47.2 tttm -59.64 144.03 48.91 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -87.23 156.26 19.74 Favored 'General case' 0 N--CA 1.431 -1.379 0 C-N-CA 124.273 1.029 . . . . 0.0 110.766 175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 42.9 m 44.09 -106.75 0.1 Allowed 'General case' 0 N--CA 1.431 -1.395 0 C-N-CA 127.5 2.32 . . . . 0.0 116.524 179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 40.2 tp . . . . . 0 C--O 1.26 1.631 0 C-N-CA 125.568 1.547 . . . . 0.0 109.813 177.377 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.952 0 O5'-C5'-C4' 114.138 2.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.984 0 P-O5'-C5' 115.188 -3.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.02 0 O5'-C5'-C4' 114.494 3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.877 1 O5'-C5'-C4' 115.885 4.061 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.87 0 O5'-C5'-C4' 114.241 2.886 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.891 0 O5'-C5'-C4' 115.145 3.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.865 0 OP1-P-OP2 115.749 -2.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O5'-C5'-C4' 115.135 3.525 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 O4'-C1'-N19 110.793 3.741 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.983 0 C5'-C4'-C3' 110.569 -2.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 O5'-C5'-C4' 114.295 2.925 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . 0.453 H2'' ' C6 ' ' C' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.908 0 O5'-C5'-C4' 113.935 2.668 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . 0.453 ' C6 ' H2'' ' C' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.538 1.969 2 O5'-C5'-C4' 116.761 4.686 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.878 1 P-O3'-C3' 126.563 5.719 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 O4'-C1'-N19 110.39 3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.042 0 O4'-C1'-C2' 102.423 -3.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.819 0 O5'-C5'-C4' 113.773 2.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.906 1 O4'-C1'-C2' 101.599 -4.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.941 2 P-O5'-C5' 114.085 -4.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.828 0 O4'-C1'-C2' 102.723 -3.07 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.986 0 O5'-C5'-C4' 114.164 2.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 OP1-P-OP2 115.989 -2.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.891 0 O5'-C5'-C4' 114.153 2.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 0 O4'-C1'-C2' 101.96 -3.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O5'-C5'-C4' 114.562 3.116 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.903 2 O5'-C5'-C4' 116.092 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.908 0 P-O3'-C3' 123.674 3.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.925 0 O5'-C5'-C4' 115.387 3.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.849 0 OP1-P-OP2 116.238 -2.241 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.967 1 O5'-C5'-C4' 115.861 4.044 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.898 0 O4'-C1'-C2' 102.696 -3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.959 0 OP1-P-OP2 114.525 -3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.858 0 C3'-C2'-C1' 106.289 2.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.425 H2'' ' C6 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 1.966 0 C3'-C2'-C1' 99.759 -2.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.425 ' C6 ' H2'' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.882 3 O4'-C1'-N19 112.377 5.721 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.848 0 P-O3'-C3' 123.354 3.045 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.939 0 OP1-P-OP2 114.651 -3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.939 0 C3'-C2'-C1' 98.081 -3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.881 0 O4'-C4'-C3' 107.959 2.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 O4'-C1'-C2' 102.298 -3.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.928 0 P-O5'-C5' 115.197 -3.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.968 0 O5'-C5'-C4' 114.154 2.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.818 0 C4'-C3'-C2' 105.687 2.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.887 0 OP1-P-OP2 116.108 -2.328 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 tmm? . . . . . 0 CA--C 1.49 -1.363 0 CA-C-O 118.637 -0.697 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -152.19 -63.98 0.02 OUTLIER Pre-proline 0 N--CA 1.43 -1.461 0 CA-C-O 116.158 -1.877 . . . . 0.0 113.435 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -57.95 139.97 92.26 Favored 'Trans proline' 0 N--CA 1.433 -2.034 0 CA-C-N 127.602 3.751 . . . . 0.0 119.21 153.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.9 t -110.88 159.28 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.478 0 C-N-CA 129.416 3.086 . . . . 0.0 103.627 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.1 p -120.43 161.1 21.81 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.567 -1.333 . . . . 0.0 109.911 -178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -54.21 -29.5 46.42 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.592 2.357 . . . . 0.0 113.8 173.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.441 ' H ' HD23 ' A' ' 6' ' ' LEU . 79.1 m-85 -71.3 -40.69 70.67 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 126.814 2.045 . . . . 0.0 111.535 173.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -65.98 -37.8 86.88 Favored 'General case' 0 N--CA 1.43 -1.456 0 O-C-N 120.758 -1.214 . . . . 0.0 112.119 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG21 ' CG ' ' A' ' 47' ' ' TYR . 4.1 t -67.0 -47.73 81.39 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 127.85 2.46 . . . . 0.0 111.705 172.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.79 -52.41 64.08 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 126.869 2.068 . . . . 0.0 114.648 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -58.75 -44.82 90.63 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.208 1.403 . . . . 0.0 112.951 176.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -62.25 -47.73 83.06 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 113.922 1.082 . . . . 0.0 113.922 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -77.17 -19.31 56.97 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.185 -1.572 . . . . 0.0 113.792 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.05 37.9 8.16 Favored Glycine 0 N--CA 1.429 -1.796 0 C-N-CA 125.341 1.448 . . . . 0.0 113.979 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.44 -177.63 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 C-N-CA 125.693 1.597 . . . . 0.0 111.827 -174.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.4 t -87.4 165.14 15.8 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.554 -1.341 . . . . 0.0 111.154 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -68.72 -34.53 75.79 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.618 -1.927 . . . . 0.0 112.009 175.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -88.83 14.95 9.17 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.758 -1.214 . . . . 0.0 113.313 170.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.2 m -91.04 -50.18 6.0 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 105.253 -2.129 . . . . 0.0 105.253 165.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.1 t -50.71 -60.47 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.475 0 C-N-CA 127.469 2.308 . . . . 0.0 115.859 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.1 p -54.38 -34.9 62.16 Favored 'General case' 0 N--CA 1.43 -1.465 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -68.16 -21.8 64.88 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 111.727 176.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.6 t -91.91 -45.66 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 O-C-N 119.477 -2.015 . . . . 0.0 109.125 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 82.2 t -55.26 -52.4 45.81 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 C-N-CA 127.744 2.418 . . . . 0.0 112.43 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -87.8 5.64 39.17 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.898 0.879 . . . . 0.0 112.877 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 46.85 69.31 0.5 Allowed 'General case' 0 N--CA 1.43 -1.472 0 N-CA-C 116.342 1.979 . . . . 0.0 116.342 -177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.71 -168.78 2.24 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 125.981 1.712 . . . . 0.0 113.511 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 47.7 m -71.79 -64.11 1.0 Allowed 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 119.122 -2.236 . . . . 0.0 115.872 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -77.84 69.68 4.11 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 -174.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.85 117.03 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 176.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.5 t -79.55 127.64 32.4 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 121.841 0.829 . . . . 0.0 109.752 175.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.74 -33.09 73.44 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -64.76 -56.46 13.44 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 123.021 1.391 . . . . 0.0 110.818 176.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.6 m -64.36 -42.41 96.22 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 127.617 2.367 . . . . 0.0 113.912 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -41.1 -48.98 3.44 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 118.082 2.623 . . . . 0.0 118.082 -179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -65.59 -18.8 65.59 Favored 'General case' 0 N--CA 1.429 -1.485 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -82.16 -40.56 21.62 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 124.501 1.12 . . . . 0.0 108.261 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.0 t -70.5 -47.78 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 C-N-CA 125.318 1.447 . . . . 0.0 110.932 176.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -63.89 -25.94 68.38 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 120.769 -1.207 . . . . 0.0 112.952 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.8 -35.79 67.42 Favored 'General case' 0 N--CA 1.429 -1.489 0 C-N-CA 124.299 1.04 . . . . 0.0 112.356 169.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -64.97 -45.1 87.09 Favored 'General case' 0 N--CA 1.431 -1.415 0 O-C-N 120.153 -1.592 . . . . 0.0 113.514 -178.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 33.0 mtt -50.96 -37.44 44.57 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.478 1.511 . . . . 0.0 113.844 169.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.5 -35.83 45.86 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 125.619 1.567 . . . . 0.0 113.524 -171.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -69.78 -62.32 1.43 Allowed 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 123.666 1.698 . . . . 0.0 111.383 178.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.91 -27.96 66.24 Favored 'General case' 0 N--CA 1.43 -1.435 0 CA-C-N 112.973 -1.921 . . . . 0.0 114.488 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.84 67.31 0.23 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.415 2.286 . . . . 0.0 108.684 -173.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CG ' HG21 ' A' ' 9' ' ' VAL . 14.5 t80 -63.44 136.14 57.4 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 21.1 mm -106.87 115.46 60.3 Favored Pre-proline 0 N--CA 1.43 -1.443 0 N-CA-C 104.774 -2.306 . . . . 0.0 104.774 178.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -53.26 107.88 0.23 Allowed 'Trans proline' 0 C--N 1.3 -2.01 0 CA-C-N 123.433 2.262 . . . . 0.0 115.245 150.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -83.2 107.36 15.7 Favored 'General case' 0 N--CA 1.43 -1.461 0 CA-C-N 119.74 1.155 . . . . 0.0 108.374 175.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -72.64 -14.59 61.63 Favored 'General case' 0 N--CA 1.431 -1.419 0 O-C-N 119.146 -2.221 . . . . 0.0 114.764 -174.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.6 t -72.07 -44.46 65.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 O-C-N 119.743 -1.848 . . . . 0.0 111.836 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.03 86.25 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 128.02 2.528 . . . . 0.0 113.34 173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 14.1 tm0? -59.83 -29.9 68.57 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.94 2.496 . . . . 0.0 113.387 173.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -87.52 -48.66 7.75 Favored 'General case' 0 N--CA 1.429 -1.486 0 O-C-N 120.562 -1.336 . . . . 0.0 113.86 178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 56' ' ' LEU . 13.2 tp -64.58 -38.05 89.69 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -177.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.59 -67.91 0.52 Allowed 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 121.714 -0.616 . . . . 0.0 109.539 175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 18.1 41.69 0.01 OUTLIER Glycine 0 N--CA 1.43 -1.74 1 C-N-CA 132.142 4.687 . . . . 0.0 121.433 177.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -67.22 149.28 50.65 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.506 2.039 . . . . 0.0 116.506 -172.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -123.98 163.65 20.94 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.575 1.55 . . . . 0.0 107.803 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.2 t -146.56 -103.75 0.1 Allowed 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.835 -1.166 . . . . 0.0 110.213 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--O 1.261 1.658 0 O-C-N 120.329 -1.482 . . . . 0.0 110.346 177.635 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 6.8 tmm? . . . . . 0 CA--C 1.491 -1.307 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -149.45 -62.95 0.02 OUTLIER Pre-proline 0 N--CA 1.429 -1.485 0 CA-C-O 115.586 -2.15 . . . . 0.0 114.177 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -60.0 137.76 77.94 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 CA-C-N 126.895 3.498 . . . . 0.0 118.204 151.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 t -105.66 162.34 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 130.639 3.576 . . . . 0.0 103.727 173.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.7 p -123.97 158.6 31.68 Favored 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 120.202 1.365 . . . . 0.0 108.958 -178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.401 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.7 OUTLIER -55.17 -26.86 41.59 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 115.639 1.718 . . . . 0.0 115.639 174.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.401 ' H ' HD23 ' B' ' 6' ' ' LEU . 65.5 m-85 -71.01 -38.19 72.65 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 127.763 2.425 . . . . 0.0 111.395 174.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.17 -39.13 78.91 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.852 1.261 . . . . 0.0 110.93 -178.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.413 ' H ' HG23 ' B' ' 9' ' ' VAL . 3.8 t -66.59 -48.19 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.423 0 C-N-CA 127.075 2.15 . . . . 0.0 111.309 171.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.07 -50.26 71.47 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 125.677 1.591 . . . . 0.0 114.983 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -58.71 -42.67 89.2 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.201 1.8 . . . . 0.0 114.941 174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -66.58 -47.68 71.99 Favored 'General case' 0 N--CA 1.429 -1.484 0 O-C-N 120.285 -1.509 . . . . 0.0 113.137 177.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.65 -23.41 58.66 Favored 'General case' 0 N--CA 1.432 -1.373 0 O-C-N 119.779 -1.825 . . . . 0.0 113.099 -178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.46 31.99 8.51 Favored Glycine 0 N--CA 1.431 -1.667 0 C-N-CA 126.087 1.803 . . . . 0.0 113.76 176.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -126.95 -169.58 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.41 0 C-N-CA 125.636 1.575 . . . . 0.0 111.999 -169.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 40.0 t -96.38 162.75 13.36 Favored 'General case' 0 N--CA 1.43 -1.447 0 CA-C-O 122.506 1.146 . . . . 0.0 110.181 176.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -66.88 -32.43 73.69 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.564 -1.96 . . . . 0.0 111.991 176.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -88.29 6.05 38.88 Favored 'General case' 0 CA--C 1.488 -1.407 0 O-C-N 120.141 -1.599 . . . . 0.0 113.616 170.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 89.0 m -84.38 -47.99 10.13 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 104.466 -2.42 . . . . 0.0 104.466 166.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.443 ' O ' HG23 ' B' ' 24' ' ' VAL . 74.0 t -50.65 -63.09 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 N-CA-C 116.64 2.089 . . . . 0.0 116.64 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 78.8 p -56.99 -33.4 67.08 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.945 2.202 . . . . 0.0 116.945 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -23.36 66.32 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.727 -1.233 . . . . 0.0 111.852 174.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.68 -49.63 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 120.055 -1.653 . . . . 0.0 109.888 177.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.443 HG23 ' O ' ' B' ' 20' ' ' VAL . 57.5 t -48.6 -54.77 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 127.952 2.501 . . . . 0.0 115.168 177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -85.56 -11.35 54.26 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 124.9 1.28 . . . . 0.0 113.267 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.253 33.5 mt-30 66.24 70.58 0.42 Allowed 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 126.961 2.104 . . . . 0.0 113.903 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.23 -162.07 0.8 Allowed 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.129 1.372 . . . . 0.0 112.569 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 74.9 m -79.74 -58.32 3.24 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.834 -1.791 . . . . 0.0 114.458 -177.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -82.9 69.81 9.78 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 78.4 t -101.55 115.51 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.465 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 174.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 25.1 t -77.88 122.61 25.7 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 124.529 1.132 . . . . 0.0 110.468 177.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.02 -28.93 68.15 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 116.767 2.136 . . . . 0.0 116.767 -175.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.411 ' HG3' ' H ' ' B' ' 33' ' ' LYS . 14.9 mtmt -69.09 -55.65 10.08 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 125.61 1.564 . . . . 0.0 111.492 174.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 5.1 m -68.72 -34.18 75.2 Favored 'General case' 0 N--CA 1.429 -1.475 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 -177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -41.79 -51.79 4.12 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 117.31 2.337 . . . . 0.0 117.31 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -66.01 -16.62 64.06 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 118.558 2.799 . . . . 0.0 118.558 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -83.16 -40.69 19.4 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 178.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -70.24 -47.98 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.435 0 O-C-N 121.553 -0.717 . . . . 0.0 112.507 173.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . 0.251 39.3 mt-10 -62.83 -27.84 69.6 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 118.625 0.648 . . . . 0.0 112.115 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.98 -38.63 72.74 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 121.14 -0.975 . . . . 0.0 112.16 169.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.52 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.25 -42.27 99.17 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.597 -1.94 . . . . 0.0 114.713 -178.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 30.3 mtt -54.48 -29.79 51.12 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 125.728 1.611 . . . . 0.0 115.02 168.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.88 -31.0 20.99 Favored 'General case' 0 N--CA 1.431 -1.405 0 C-N-CA 125.128 1.371 . . . . 0.0 113.662 -171.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.06 -59.02 2.92 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-O 124.021 1.867 . . . . 0.0 108.747 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -76.53 -23.51 53.65 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 127.282 2.233 . . . . 0.0 115.295 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 63.28 64.23 0.85 Allowed 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.932 1.693 . . . . 0.0 111.051 -173.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -61.14 132.5 53.93 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 11.2 mm -100.85 117.41 62.62 Favored Pre-proline 0 N--CA 1.431 -1.425 0 N-CA-C 106.778 -1.564 . . . . 0.0 106.778 177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -53.89 108.9 0.31 Allowed 'Trans proline' 0 N--CA 1.433 -2.038 0 CA-C-N 124.058 2.485 . . . . 0.0 116.306 150.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -82.85 112.38 19.61 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.7 mtt85 -79.28 -11.44 59.94 Favored 'General case' 0 N--CA 1.429 -1.478 0 O-C-N 119.086 -2.259 . . . . 0.0 113.293 -173.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.5 t -75.6 -42.85 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 120.139 -1.601 . . . . 0.0 111.233 177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.83 -29.47 70.66 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 128.187 2.595 . . . . 0.0 112.921 171.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -73.25 -26.16 61.0 Favored 'General case' 0 N--CA 1.43 -1.467 0 O-C-N 119.876 -1.765 . . . . 0.0 112.52 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -91.68 -44.65 8.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 115.705 1.742 . . . . 0.0 115.705 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.14 -45.4 85.17 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -176.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.78 -69.72 0.29 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 124.333 1.053 . . . . 0.0 111.183 172.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 16.53 52.34 0.01 OUTLIER Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 130.676 3.988 . . . . 0.0 119.534 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -80.47 150.7 29.6 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -170.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -123.07 161.42 24.39 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.368 1.467 . . . . 0.0 108.443 176.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 32.8 t -141.29 -102.45 0.14 Allowed 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 119.934 -1.729 . . . . 0.0 107.242 -178.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 47.2 tp . . . . . 0 C--O 1.261 1.661 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 176.615 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.934 0 C3'-C2'-C1' 97.244 -3.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.783 0 C3'-C2'-C1' 98.158 -3.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.917 0 O5'-C5'-C4' 115.253 3.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.852 0 P-O5'-C5' 115.941 -3.099 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.999 0 O5'-C5'-C4' 115.037 3.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.973 0 P-O3'-C3' 124.233 3.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.917 0 O5'-C5'-C4' 114.395 2.997 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.869 0 OP1-P-OP2 115.404 -2.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.809 1 O4'-C1'-C2' 101.002 -4.635 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.833 0 O5'-C5'-C4' 115.428 3.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.013 0 OP1-P-OP2 115.252 -2.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 O5'-C5'-C4' 115.476 3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.873 2 O4'-C1'-N19 113.074 6.593 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.858 0 OP1-P-OP2 115.143 -2.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 0 O5'-C5'-C4' 115.167 3.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . 0.407 H2'' ' C5 ' ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.864 0 O4'-C1'-C2' 102.037 -3.693 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.407 ' C5 ' H2'' ' C' ' 16' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.537 1.929 0 O5'-C5'-C4' 113.739 2.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 O4'-C1'-C2' 101.84 -3.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 O4'-C1'-C2' 102.055 -3.677 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.912 0 O4'-C1'-N19 110.868 3.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 O4'-C1'-N19 110.205 3.006 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.93 0 OP1-P-OP2 115.822 -2.519 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.885 0 O5'-C5'-C4' 115.683 3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.877 1 O4'-C1'-C2' 101.65 -4.045 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.987 0 O5'-C5'-C4' 114.6 3.143 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.981 0 O4'-C1'-C2' 102.684 -3.106 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.841 1 O5'-C5'-C4' 115.814 4.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.981 0 O4'-C1'-N19 104.721 -3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.91 0 O5'-C5'-C4' 115.268 3.62 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.05 0 O5'-C5'-C4' 114.435 3.025 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.993 0 O4'-C1'-C2' 102.059 -3.673 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.932 0 O5'-C5'-C4' 114.459 3.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.044 0 OP1-P-OP2 115.641 -2.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O5'-C5'-C4' 114.686 3.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.934 1 O4'-C1'-N19 113.233 6.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.942 1 O4'-C1'-N19 111.881 5.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.971 1 O5'-C5'-C4' 116.024 4.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.92 0 O4'-C1'-C2' 102.187 -3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.959 0 O5'-C5'-C4' 114.162 2.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O4'-C1'-C2' 101.755 -3.95 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O4'-C1'-C2' 101.898 -3.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.002 0 O4'-C1'-N19 110.76 3.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.882 0 OP1-P-OP2 115.492 -2.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.921 0 OP1-P-OP2 115.469 -2.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.491 -1.326 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm 52.86 74.33 0.8 Allowed Pre-proline 0 N--CA 1.43 -1.448 0 N-CA-C 117.792 2.515 . . . . 0.0 117.792 -174.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -44.21 140.09 5.82 Favored 'Trans proline' 0 C--N 1.299 -2.033 0 C-N-CA 123.124 2.549 . . . . 0.0 118.658 151.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.1 169.56 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 C-N-CA 130.447 3.499 . . . . 0.0 104.977 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.9 p -132.86 159.44 39.85 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.721 -1.862 . . . . 0.0 108.295 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.46 -31.29 22.71 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 116.754 2.131 . . . . 0.0 116.754 172.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -74.52 -30.49 61.8 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.271 1.829 . . . . 0.0 112.269 176.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.49 -40.83 69.96 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.422 1.489 . . . . 0.0 110.484 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.1 t -66.14 -47.5 84.54 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.424 0 C-N-CA 127.872 2.469 . . . . 0.0 111.347 173.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.81 -49.22 78.51 Favored 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.59 -45.15 92.73 Favored 'General case' 0 N--CA 1.43 -1.444 0 C-N-CA 125.76 1.624 . . . . 0.0 113.597 176.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -62.72 -48.61 78.49 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.061 -1.649 . . . . 0.0 113.389 175.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -74.7 -14.09 60.69 Favored 'General case' 0 N--CA 1.431 -1.416 0 O-C-N 120.563 -1.336 . . . . 0.0 113.38 -177.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.59 31.65 36.17 Favored Glycine 0 N--CA 1.431 -1.685 0 C-N-CA 125.805 1.669 . . . . 0.0 112.788 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 32.0 m -124.33 -168.72 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.436 0 C-N-CA 125.131 1.372 . . . . 0.0 109.566 -176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.9 p -102.64 167.11 10.12 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 120.984 -1.072 . . . . 0.0 111.626 175.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -68.37 -29.89 68.7 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 118.792 -2.443 . . . . 0.0 113.49 176.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -63.06 -40.77 98.67 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.958 2.103 . . . . 0.0 111.122 171.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -66.06 -42.56 89.29 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.702 -1.249 . . . . 0.0 111.581 176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.439 HG22 HG13 ' A' ' 38' ' ' VAL . 55.1 t -60.28 -55.59 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.48 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 176.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.6 t -55.53 -32.35 62.86 Favored 'General case' 0 N--CA 1.43 -1.452 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -53.91 -36.04 62.3 Favored 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 126.112 1.765 . . . . 0.0 113.587 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 39.5 t -88.69 -45.43 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 C-N-CA 125.13 1.372 . . . . 0.0 110.027 -177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 20' ' ' VAL . 54.3 t -55.87 -46.08 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 128.013 2.525 . . . . 0.0 113.906 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -90.81 0.02 57.58 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.389 -1.444 . . . . 0.0 114.166 177.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 52.59 64.31 1.9 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 126.996 2.119 . . . . 0.0 115.687 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.56 -174.71 2.16 Favored 'General case' 0 N--CA 1.43 -1.443 0 CA-C-O 121.959 0.885 . . . . 0.0 111.901 178.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.9 m -82.44 -54.24 5.36 Favored 'General case' 0 N--CA 1.43 -1.451 0 O-C-N 119.746 -1.846 . . . . 0.0 110.229 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -77.26 70.48 3.66 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.086 1.354 . . . . 0.0 113.242 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 62.7 t -105.68 125.29 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 173.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 t -72.56 119.79 17.28 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 121.085 -1.009 . . . . 0.0 110.121 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.58 -29.48 70.73 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 125.401 1.48 . . . . 0.0 114.019 -177.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -66.72 -55.82 13.35 Favored 'General case' 0 N--CA 1.429 -1.485 0 O-C-N 120.764 -1.21 . . . . 0.0 110.756 174.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.3 m -65.57 -37.91 88.02 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.657 1.983 . . . . 0.0 115.727 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -43.36 -49.59 6.94 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 117.217 2.303 . . . . 0.0 117.217 -178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -62.54 -19.63 63.84 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 126.685 1.994 . . . . 0.0 115.696 178.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -84.58 -43.66 14.26 Favored 'General case' 0 N--CA 1.43 -1.461 0 O-C-N 120.947 -1.095 . . . . 0.0 108.319 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.439 HG13 HG22 ' A' ' 20' ' ' VAL . 7.4 t -68.18 -46.24 81.59 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.491 0 C-N-CA 124.048 0.939 . . . . 0.0 111.503 176.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -58.12 -29.12 65.26 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 121.182 -0.949 . . . . 0.0 112.668 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.32 -37.21 71.77 Favored 'General case' 0 N--CA 1.431 -1.413 0 C-N-CA 123.141 0.576 . . . . 0.0 112.368 172.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.549 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -66.19 -41.67 89.92 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 119.524 -1.985 . . . . 0.0 115.077 178.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.9 mtt -55.99 -27.26 52.0 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 114.93 1.455 . . . . 0.0 114.93 168.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.32 -42.48 14.56 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.505 1.122 . . . . 0.0 113.313 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -68.32 -52.32 34.85 Favored 'General case' 0 N--CA 1.43 -1.455 0 CA-C-O 123.903 1.811 . . . . 0.0 112.603 -178.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.31 -23.75 37.65 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 113.437 -1.71 . . . . 0.0 113.189 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 68.86 63.88 0.31 Allowed 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.926 2.091 . . . . 0.0 110.514 -176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -60.07 124.33 19.89 Favored 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 115.839 1.792 . . . . 0.0 115.839 -178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -105.69 105.25 52.21 Favored Pre-proline 0 N--CA 1.429 -1.48 0 N-CA-C 103.191 -2.892 . . . . 0.0 103.191 169.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -64.56 115.06 2.99 Favored 'Trans proline' 0 C--N 1.299 -2.037 0 CA-C-N 123.474 2.277 . . . . 0.0 115.95 154.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -75.51 140.37 42.74 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 125.255 1.422 . . . . 0.0 112.817 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -73.19 -28.85 62.43 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.95 -1.719 . . . . 0.0 113.268 -176.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -62.29 -40.97 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.428 0 O-C-N 119.702 -1.874 . . . . 0.0 113.293 174.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.41 -24.17 65.63 Favored 'General case' 0 N--CA 1.429 -1.482 0 C-N-CA 127.745 2.418 . . . . 0.0 113.49 174.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -81.88 -32.78 30.86 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.712 -1.242 . . . . 0.0 111.243 173.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -86.72 -36.74 18.49 Favored 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 117.922 2.564 . . . . 0.0 117.922 -172.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 56' ' ' LEU . 8.0 tp -71.32 -42.68 68.31 Favored 'General case' 0 N--CA 1.431 -1.412 0 O-C-N 119.624 -1.923 . . . . 0.0 112.48 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.68 -58.05 10.25 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.235 2.214 . . . . 0.0 108.779 165.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.22 -49.88 0.87 Allowed Glycine 0 N--CA 1.43 -1.727 0 N-CA-C 121.927 3.531 . . . . 0.0 121.927 162.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -98.76 -174.99 2.93 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 -164.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -154.69 113.43 3.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.885 1.274 . . . . 0.0 109.634 176.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 77.0 p -89.72 -169.19 2.37 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.638 1.975 . . . . 0.0 113.456 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 59.6 mt . . . . . 0 C--O 1.261 1.678 0 C-N-CA 127.588 2.355 . . . . 0.0 115.378 178.89 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.49 -1.333 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 32.4 mtmm 65.31 84.21 0.18 Allowed Pre-proline 0 N--CA 1.429 -1.485 0 C-N-CA 127.485 2.314 . . . . 0.0 112.936 -174.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -49.34 153.81 4.46 Favored 'Trans proline' 0 C--N 1.299 -2.067 0 C-N-CA 123.301 2.668 . . . . 0.0 117.904 150.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.05 164.94 30.69 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.447 0 N-CA-C 103.077 -2.934 . . . . 0.0 103.077 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 20.2 p -128.26 160.98 30.45 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.769 -1.832 . . . . 0.0 109.521 178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.435 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.8 OUTLIER -50.85 -31.7 18.06 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 171.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.435 ' H ' HD23 ' B' ' 6' ' ' LEU . 60.5 m-85 -72.08 -35.1 69.15 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 125.28 1.432 . . . . 0.0 112.538 176.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.52 -40.2 77.07 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.637 1.575 . . . . 0.0 110.657 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 t -64.88 -48.49 84.05 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.726 2.41 . . . . 0.0 111.365 173.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.09 -47.35 83.51 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 114.95 1.463 . . . . 0.0 114.95 177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -61.67 -43.72 98.32 Favored 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 125.867 1.667 . . . . 0.0 113.364 177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -62.91 -49.47 74.67 Favored 'General case' 0 N--CA 1.43 -1.43 0 C-N-CA 124.149 0.98 . . . . 0.0 113.184 174.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.56 -10.63 59.73 Favored 'General case' 0 N--CA 1.43 -1.463 0 O-C-N 120.724 -1.235 . . . . 0.0 113.377 -176.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 76.12 27.86 61.37 Favored Glycine 0 N--CA 1.43 -1.732 0 C-N-CA 125.845 1.688 . . . . 0.0 113.8 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.9 m -116.26 -152.89 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 C-N-CA 125.389 1.476 . . . . 0.0 110.632 -176.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.4 p -120.51 165.05 15.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.785 1.634 . . . . 0.0 109.546 176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -66.98 -30.06 70.07 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.731 -1.855 . . . . 0.0 113.249 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -65.46 -39.33 91.87 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.123 1.769 . . . . 0.0 111.595 172.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 97.5 m -66.26 -43.27 86.95 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 124.643 1.177 . . . . 0.0 111.335 175.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.402 ' O ' HG23 ' B' ' 24' ' ' VAL . 54.4 t -58.15 -58.27 7.16 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 177.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 14.1 t -58.03 -29.19 65.15 Favored 'General case' 0 N--CA 1.429 -1.486 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -54.24 -36.03 63.12 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.12 1.768 . . . . 0.0 113.352 171.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 37.4 t -88.13 -46.67 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 C-N-CA 124.26 1.024 . . . . 0.0 110.497 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.402 HG23 ' O ' ' B' ' 20' ' ' VAL . 58.0 t -55.35 -48.52 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 127.073 2.149 . . . . 0.0 114.52 -178.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -84.06 -15.06 48.85 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 66.84 70.96 0.39 Allowed 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 125.944 1.697 . . . . 0.0 113.655 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.64 -170.31 1.52 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 122.368 1.08 . . . . 0.0 111.957 176.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 45.3 m -90.08 -52.55 4.9 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 119.274 -2.141 . . . . 0.0 109.696 178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -78.67 73.96 5.21 Favored 'General case' 0 N--CA 1.431 -1.418 0 C-N-CA 123.794 0.838 . . . . 0.0 112.604 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.48 129.14 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 174.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.8 t -75.71 119.13 19.32 Favored 'General case' 0 N--CA 1.429 -1.5 0 O-C-N 120.244 -1.535 . . . . 0.0 110.325 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.92 70.11 Favored 'General case' 0 N--CA 1.429 -1.48 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -67.31 -56.79 8.3 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.265 1.426 . . . . 0.0 110.514 175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.3 m -65.46 -36.23 83.28 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.883 2.073 . . . . 0.0 116.324 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 47.2 ttp180 -45.11 -51.57 10.14 Favored 'General case' 0 N--CA 1.43 -1.468 0 N-CA-C 116.712 2.115 . . . . 0.0 116.712 -179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -62.14 -15.88 48.78 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 117.028 2.232 . . . . 0.0 117.028 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -85.65 -43.37 13.49 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.153 -1.592 . . . . 0.0 107.32 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 6.0 t -68.07 -45.82 82.7 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.483 0 O-C-N 120.862 -1.148 . . . . 0.0 113.197 175.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -58.2 -31.76 67.62 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 123.967 0.907 . . . . 0.0 111.693 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.9 -38.62 79.71 Favored 'General case' 0 N--CA 1.43 -1.439 0 O-C-N 121.475 -0.766 . . . . 0.0 113.043 171.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.75 -40.84 92.5 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.418 -2.051 . . . . 0.0 114.534 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 33.0 mtt -56.51 -30.55 63.15 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 114.193 1.183 . . . . 0.0 114.193 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.89 -39.08 22.04 Favored 'General case' 0 N--CA 1.431 -1.422 0 C-N-CA 124.417 1.087 . . . . 0.0 113.421 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -69.75 -52.5 24.77 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 124.5 2.095 . . . . 0.0 112.224 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.5 mt -82.7 -22.65 34.44 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.325 1.45 . . . . 0.0 113.053 -174.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 69.52 66.33 0.25 Allowed 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 127.088 2.155 . . . . 0.0 109.484 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -63.32 126.2 26.67 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 115.489 1.662 . . . . 0.0 115.489 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.76 105.0 53.75 Favored Pre-proline 0 N--CA 1.43 -1.455 0 N-CA-C 102.724 -3.065 . . . . 0.0 102.724 169.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -65.23 114.01 2.66 Favored 'Trans proline' 0 C--N 1.299 -2.064 0 CA-C-N 123.034 2.119 . . . . 0.0 115.478 153.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -75.55 141.34 42.99 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 123.32 1.533 . . . . 0.0 114.643 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -70.14 -32.39 70.36 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.778 -1.826 . . . . 0.0 114.202 -178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.29 -41.36 83.88 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-O 123.979 1.847 . . . . 0.0 113.562 175.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.36 -24.57 64.81 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.838 2.455 . . . . 0.0 113.027 175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -80.75 -33.92 34.71 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.581 1.181 . . . . 0.0 111.944 173.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -84.49 -37.93 20.71 Favored 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 119.26 3.059 . . . . 0.0 119.26 -172.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.482 HD12 ' HA ' ' B' ' 56' ' ' LEU . 7.9 tp -71.16 -45.47 63.44 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.109 -2.245 . . . . 0.0 111.821 -178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.66 67.29 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 128.375 2.67 . . . . 0.0 110.314 166.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.07 -54.82 0.8 Allowed Glycine 0 N--CA 1.43 -1.705 0 N-CA-C 121.699 3.44 . . . . 0.0 121.699 162.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -101.3 -178.87 3.87 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 118.508 2.781 . . . . 0.0 118.508 -161.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 43.9 tp60 -145.15 116.47 7.98 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 124.769 1.228 . . . . 0.0 110.434 175.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 84.5 p -93.35 -174.15 3.43 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 124.97 1.308 . . . . 0.0 110.233 176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 40.3 mt . . . . . 0 C--O 1.259 1.589 0 C-N-CA 125.736 1.614 . . . . 0.0 115.03 -178.62 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.854 1 C3'-C2'-C1' 97.027 -4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.943 0 O5'-C5'-C4' 114.785 3.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.853 0 O4'-C1'-C2' 102.225 -3.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.908 0 P-O5'-C5' 114.954 -3.716 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.844 0 O5'-C5'-C4' 115.22 3.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.879 0 OP1-P-OP2 115.515 -2.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.844 0 P-O5'-C5' 116.397 -2.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 0 O5'-C5'-C4' 115.356 3.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.951 0 O4'-C1'-N19 110.172 2.965 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 C5'-C4'-C3' 108.743 -3.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.998 0 O5'-C5'-C4' 114.254 2.896 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.94 0 O5'-C5'-C4' 114.041 2.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . 0.432 " H2'" ' C6 ' ' C' ' 14' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.539 2.081 3 O4'-C1'-N19 113.052 6.565 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . 0.432 ' C6 ' " H2'" ' C' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.537 1.91 0 OP1-P-OP2 115.26 -2.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.928 0 O4'-C1'-C2' 103.065 -2.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.984 0 O4'-C1'-C2' 101.795 -3.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.942 0 O5'-C5'-C4' 114.511 3.079 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.899 0 O4'-C1'-C2' 101.782 -3.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.848 0 OP1-P-OP2 115.827 -2.515 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.897 1 O4'-C1'-N19 111.108 4.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.789 0 O4'-C1'-N19 109.969 2.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.931 0 C4'-C3'-C2' 100.209 -2.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.001 0 O4'-C1'-C2' 102.135 -3.605 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O4'-C1'-C2' 102.833 -2.97 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 O4'-C1'-C2' 102.301 -3.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.852 0 P-O5'-C5' 114.874 -3.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 0 O5'-C5'-C4' 114.46 3.043 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.802 0 O5'-C5'-C4' 113.793 2.566 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.952 0 O4'-C1'-N19 110.218 3.023 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.007 0 O5'-C5'-C4' 115.287 3.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.842 0 C3'-C2'-C1' 98.166 -3.238 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.002 0 C5'-C4'-C3' 108.824 -3.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.902 0 OP1-P-OP2 116.067 -2.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.895 0 O5'-C5'-C4' 115.636 3.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.45 " H2'" ' C6 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.538 1.959 3 O4'-C1'-N19 112.385 5.732 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.45 ' C6 ' " H2'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 1.972 0 O5'-C5'-C4' 114.634 3.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.441 H2'' ' C8 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.537 1.872 0 O5'-C5'-C4' 114.566 3.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.441 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.538 1.954 1 O4'-C1'-C2' 101.042 -4.598 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 O5'-C5'-C4' 113.861 2.615 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.948 0 O4'-C1'-C2' 102.963 -2.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 O5'-C5'-C4' 113.875 2.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.811 0 O4'-C1'-N19 110.493 3.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.798 0 O5'-C5'-C4' 114.698 3.213 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 0 C4'-C3'-C2' 100.522 -2.678 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 CA--C 1.49 -1.327 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -91.62 148.76 38.02 Favored Pre-proline 0 N--CA 1.43 -1.458 0 O-C-N 120.256 -1.528 . . . . 0.0 107.762 174.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -54.4 155.69 15.79 Favored 'Trans proline' 0 N--CA 1.434 -2.003 0 N-CA-C 118.885 2.61 . . . . 0.0 118.885 156.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.3 t -140.69 163.16 22.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 102.089 -3.3 . . . . 0.0 102.089 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -126.42 162.2 26.13 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 119.783 1.174 . . . . 0.0 109.84 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -51.48 -31.49 23.68 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 126.654 1.982 . . . . 0.0 115.485 171.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -72.97 -37.87 66.91 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 126.517 1.927 . . . . 0.0 111.799 176.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -69.11 -38.96 79.19 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 125.403 1.481 . . . . 0.0 111.246 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG21 ' CG ' ' A' ' 47' ' ' TYR . 14.9 t -69.42 -44.65 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.454 0 C-N-CA 126.545 1.938 . . . . 0.0 111.296 173.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.46 -52.44 65.37 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 125.115 1.366 . . . . 0.0 113.458 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -60.57 -40.57 92.15 Favored 'General case' 0 N--CA 1.43 -1.438 0 C-N-CA 125.02 1.328 . . . . 0.0 113.572 176.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -64.22 -48.47 75.73 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.736 -1.228 . . . . 0.0 113.6 176.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.88 -14.76 59.85 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.833 -1.792 . . . . 0.0 112.802 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.12 36.44 10.0 Favored Glycine 0 N--CA 1.43 -1.717 0 O-C-N 120.165 -1.585 . . . . 0.0 113.568 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.94 -171.21 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 C-N-CA 125.042 1.337 . . . . 0.0 111.424 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.4 t -97.86 167.47 10.91 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 122.945 1.355 . . . . 0.0 110.138 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -73.14 -26.43 61.21 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 119.878 -1.764 . . . . 0.0 112.189 178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -66.99 -40.09 87.31 Favored 'General case' 0 N--CA 1.429 -1.476 0 C-N-CA 124.979 1.311 . . . . 0.0 112.116 170.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.0 m -60.43 -44.16 96.07 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 126.929 2.092 . . . . 0.0 111.512 175.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.68 -61.07 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 126.592 1.957 . . . . 0.0 115.105 173.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.3 t -52.33 -33.78 44.2 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -23.03 64.99 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 120.093 -1.629 . . . . 0.0 114.759 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.1 t -90.44 -51.05 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 120.468 -1.395 . . . . 0.0 109.701 178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.4 t -52.86 -49.68 46.72 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 C-N-CA 129.186 2.995 . . . . 0.0 114.359 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.75 -1.82 29.23 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 124.922 1.289 . . . . 0.0 114.443 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . 0.256 77.0 mt-30 62.53 56.56 2.02 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.03 -164.63 0.84 Allowed 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.601 -1.312 . . . . 0.0 111.285 176.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.7 m -112.57 -72.19 0.72 Allowed 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 120.563 -1.336 . . . . 0.0 113.554 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -71.29 82.89 0.76 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 120.014 3.338 . . . . 0.0 120.014 -167.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.3 t -133.42 -80.15 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.468 0 N-CA-C 104.771 -2.307 . . . . 0.0 104.771 167.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 t -179.04 -169.97 0.17 Allowed 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 101.161 -3.644 . . . . 0.0 101.161 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -123.43 -30.56 3.64 Favored 'General case' 0 N--CA 1.43 -1.438 0 CA-C-N 122.036 2.198 . . . . 0.0 114.676 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -67.42 -52.73 36.2 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.6 m -48.4 -40.62 26.41 Favored 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 127.068 2.147 . . . . 0.0 116.338 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 -29.86 -52.98 0.14 Allowed 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 118.372 2.731 . . . . 0.0 118.372 169.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -64.31 -21.94 66.78 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.18 2.192 . . . . 0.0 116.755 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -82.98 -36.99 24.64 Favored 'General case' 0 N--CA 1.43 -1.46 0 C-N-CA 125.875 1.67 . . . . 0.0 108.97 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.1 t -67.14 -41.08 86.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 121.774 -0.579 . . . . 0.0 112.143 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -51.82 -31.2 26.49 Favored 'General case' 0 N--CA 1.429 -1.498 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 178.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.92 -41.89 70.6 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.881 1.272 . . . . 0.0 113.607 174.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.592 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -62.24 -38.66 90.1 Favored 'General case' 0 N--CA 1.43 -1.45 0 O-C-N 119.499 -2.001 . . . . 0.0 115.698 -177.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.0 mtt -53.22 -31.1 41.51 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 115.457 1.651 . . . . 0.0 115.457 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.05 -26.4 23.73 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.035 1.334 . . . . 0.0 113.642 -172.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -76.67 -57.98 3.54 Favored 'General case' 0 N--CA 1.431 -1.425 0 CA-C-O 123.448 1.594 . . . . 0.0 111.911 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.3 mt -75.98 -22.63 55.67 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 127.148 2.179 . . . . 0.0 114.547 -177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.95 65.68 0.17 Allowed 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 127.115 2.166 . . . . 0.0 108.597 -173.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.431 ' CG ' HG21 ' A' ' 9' ' ' VAL . 11.4 t80 -62.94 121.32 13.23 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.9 mp -107.0 109.4 63.07 Favored Pre-proline 0 N--CA 1.43 -1.455 0 N-CA-C 103.131 -2.914 . . . . 0.0 103.131 170.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -65.42 135.36 42.37 Favored 'Trans proline' 0 C--N 1.299 -2.03 0 CA-C-N 122.695 1.998 . . . . 0.0 114.603 151.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -93.31 133.88 36.09 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.803 -1.186 . . . . 0.0 108.442 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -72.96 -15.19 61.56 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.142 -1.598 . . . . 0.0 111.865 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.8 t -64.77 -47.94 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 127.354 2.261 . . . . 0.0 111.816 171.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.48 -24.19 65.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.438 1.895 . . . . 0.0 113.037 174.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -83.32 -16.08 47.58 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.88 -1.763 . . . . 0.0 112.512 175.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -101.67 -40.58 6.92 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 115.768 1.766 . . . . 0.0 115.768 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 56' ' ' LEU . 10.2 tp -65.43 -43.73 89.55 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 119.983 -1.698 . . . . 0.0 113.738 -177.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.47 -73.4 0.17 Allowed 'General case' 0 N--CA 1.431 -1.421 0 C-N-CA 124.377 1.071 . . . . 0.0 108.734 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 12.41 53.32 0.01 OUTLIER Glycine 0 N--CA 1.429 -1.802 1 C-N-CA 131.969 4.604 . . . . 0.0 121.461 174.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -68.46 137.68 54.65 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 49.33 54.83 10.29 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 128.089 2.555 . . . . 0.0 115.489 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.9 t -100.7 125.74 47.17 Favored 'General case' 0 N--CA 1.43 -1.428 0 O-C-N 121.013 -1.055 . . . . 0.0 110.854 -177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.26 1.641 0 C-N-CA 124.936 1.294 . . . . 0.0 108.569 -177.761 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 CA--C 1.49 -1.355 0 N-CA-C 112.856 0.687 . . . . 0.0 112.856 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -108.98 150.96 41.61 Favored Pre-proline 0 N--CA 1.431 -1.411 0 C-N-CA 125.086 1.354 . . . . 0.0 110.403 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -87.18 147.36 7.75 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 N-CA-C 106.464 -2.168 . . . . 0.0 106.464 -157.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.91 166.39 13.32 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 126.388 1.875 . . . . 0.0 106.036 -177.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -124.89 159.52 30.94 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.851 -1.156 . . . . 0.0 108.13 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -49.49 -34.07 16.09 Favored 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 169.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -72.16 -34.01 68.15 Favored 'General case' 0 N--CA 1.429 -1.479 0 C-N-CA 126.653 1.981 . . . . 0.0 113.071 178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -72.76 -39.9 66.45 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-O 122.328 1.061 . . . . 0.0 110.392 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.0 t -67.5 -44.18 86.83 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 126.102 1.761 . . . . 0.0 111.086 173.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.29 -50.52 73.3 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 174.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.69 -40.51 92.45 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.576 -1.328 . . . . 0.0 113.287 175.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.451 ' CE1' ' HG3' ' B' ' 44' ' ' GLU . 50.5 t80 -63.29 -47.96 80.11 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.235 -1.541 . . . . 0.0 113.495 177.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.573 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -77.44 -13.6 59.89 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 120.583 -1.323 . . . . 0.0 113.432 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 83.29 33.81 22.02 Favored Glycine 0 N--CA 1.429 -1.78 0 C-N-CA 125.488 1.518 . . . . 0.0 113.927 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 26.2 m -127.58 -174.04 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.862 1.665 . . . . 0.0 112.083 -175.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 32.3 t -95.02 168.37 10.82 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 123.604 1.668 . . . . 0.0 110.687 173.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -75.52 -24.89 56.84 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.766 -1.833 . . . . 0.0 112.493 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -68.09 -41.65 81.54 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.459 1.504 . . . . 0.0 110.559 170.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.1 m -59.68 -43.8 93.88 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 125.797 1.639 . . . . 0.0 112.052 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 3.2 t -55.46 -61.06 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.419 0 C-N-CA 126.336 1.854 . . . . 0.0 115.342 172.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 13.2 t -55.68 -31.96 62.85 Favored 'General case' 0 N--CA 1.429 -1.492 0 N-CA-C 116.145 1.906 . . . . 0.0 116.145 -175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -21.68 63.84 Favored 'General case' 0 N--CA 1.43 -1.475 0 O-C-N 120.144 -1.598 . . . . 0.0 114.601 172.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.58 -51.17 11.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.45 0 O-C-N 120.111 -1.618 . . . . 0.0 109.163 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 t -51.39 -52.47 19.78 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 129.037 2.935 . . . . 0.0 114.465 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -100.89 -4.05 28.52 Favored 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 114.679 1.363 . . . . 0.0 114.679 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . 0.26 76.4 mt-30 64.0 67.91 0.59 Allowed 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.45 -151.5 0.23 Allowed 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 120.275 -1.516 . . . . 0.0 111.106 178.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 44.9 m -124.94 -75.17 0.6 Allowed 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 120.769 -1.207 . . . . 0.0 112.233 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -70.6 83.34 0.61 Allowed 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 119.294 3.072 . . . . 0.0 119.294 -168.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.0 t -135.19 -74.75 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 104.879 -2.267 . . . . 0.0 104.879 168.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 29.8 t 173.71 -173.25 0.05 Allowed 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 101.219 -3.623 . . . . 0.0 101.219 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -122.73 -25.05 4.73 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -70.82 -54.78 10.3 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 120.489 -1.382 . . . . 0.0 113.698 177.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 7.7 m -47.56 -41.34 21.16 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 126.901 2.08 . . . . 0.0 116.304 175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -30.0 -51.04 0.12 Allowed 'General case' 0 N--CA 1.43 -1.453 0 N-CA-C 118.632 2.827 . . . . 0.0 118.632 169.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.11 -24.76 67.52 Favored 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 116.366 1.987 . . . . 0.0 116.366 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -80.48 -34.23 35.99 Favored 'General case' 0 N--CA 1.431 -1.386 0 C-N-CA 125.98 1.712 . . . . 0.0 109.769 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 t -70.69 -40.92 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.228 172.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 77.7 mt-10 -52.32 -33.01 40.61 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 122.432 1.11 . . . . 0.0 113.343 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.76 -37.28 73.39 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.706 1.202 . . . . 0.0 114.228 174.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.573 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -64.83 -43.0 94.49 Favored 'General case' 0 N--CA 1.43 -1.46 0 O-C-N 120.472 -1.392 . . . . 0.0 114.671 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 43.7 mtt -48.13 -34.05 9.25 Favored 'General case' 0 N--CA 1.431 -1.406 0 C-N-CA 126.249 1.82 . . . . 0.0 114.78 171.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.9 -25.4 35.0 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 114.842 1.423 . . . . 0.0 114.842 -174.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.451 ' HG3' ' CE1' ' B' ' 12' ' ' TYR . 5.7 mm-40 -78.94 -61.2 2.09 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 120.338 -1.476 . . . . 0.0 111.377 -176.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.25 -16.59 54.38 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.052 1.741 . . . . 0.0 113.202 -175.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 73.14 63.23 0.1 Allowed 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 127.316 2.246 . . . . 0.0 109.506 -179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -59.69 120.76 10.09 Favored 'General case' 0 N--CA 1.43 -1.458 0 N-CA-C 115.743 1.757 . . . . 0.0 115.743 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 mp -106.29 101.13 33.26 Favored Pre-proline 0 N--CA 1.43 -1.435 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -61.83 129.92 29.3 Favored 'Trans proline' 0 C--N 1.3 -2.009 0 CA-C-N 123.827 2.403 . . . . 0.0 115.459 152.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -91.12 134.81 34.22 Favored 'General case' 0 N--CA 1.43 -1.43 0 O-C-N 121.078 -1.014 . . . . 0.0 109.321 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 -70.65 -14.44 62.47 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 120.369 -1.457 . . . . 0.0 113.789 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 9.8 t -65.23 -49.0 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 C-N-CA 127.921 2.488 . . . . 0.0 111.375 172.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.18 -21.81 65.77 Favored 'General case' 0 N--CA 1.431 -1.422 0 CA-C-O 124.338 2.018 . . . . 0.0 113.451 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -84.69 -19.16 33.26 Favored 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 120.337 -1.477 . . . . 0.0 111.11 175.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -100.09 -36.88 9.18 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 116.465 2.024 . . . . 0.0 116.465 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.44 HD12 ' HA ' ' B' ' 56' ' ' LEU . 10.6 tp -68.63 -42.69 77.71 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 120.934 1.697 . . . . 0.0 113.515 -176.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.71 -75.75 0.11 Allowed 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.285 1.434 . . . . 0.0 109.065 167.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 15.28 53.48 0.01 OUTLIER Glycine 0 N--CA 1.43 -1.749 1 C-N-CA 130.766 4.031 . . . . 0.0 121.558 173.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -68.6 136.32 52.84 Favored 'General case' 0 N--CA 1.43 -1.464 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 48.36 54.62 10.09 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 127.81 2.444 . . . . 0.0 116.189 179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 21.7 t -97.52 117.12 31.07 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 124.922 1.289 . . . . 0.0 110.919 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 3.0 mm? . . . . . 0 C--O 1.26 1.611 0 C-N-CA 124.321 1.048 . . . . 0.0 111.741 -177.719 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.776 0 O5'-C5'-C4' 114.532 3.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.843 0 C3'-C2'-C1' 97.285 -3.868 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.799 0 O5'-C5'-C4' 114.982 3.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.872 0 O4'-C1'-C2' 102.478 -3.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.95 0 O5'-C5'-C4' 115.109 3.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.966 0 O5'-C5'-C4' 114.185 2.846 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.894 0 O4'-C1'-C2' 102.934 -2.878 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.85 0 C3'-C2'-C1' 99.048 -2.609 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.0 1 O4'-C1'-C2' 101.041 -4.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.918 0 O4'-C1'-C2' 102.624 -3.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 0 O4'-C1'-N19 105.331 -3.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.016 0 O5'-C5'-C4' 113.866 2.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.917 2 C5'-C4'-C3' 107.34 -4.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.968 0 C5'-C4'-C3' 110.282 -2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.928 0 O5'-C5'-C4' 114.074 2.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 0 P-O5'-C5' 117.392 -2.193 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.888 0 OP1-P-OP2 115.008 -3.061 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.402 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.537 1.863 0 O4'-C1'-C2' 102.19 -3.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.402 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.537 1.915 0 O4'-C1'-C2' 103.174 -2.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.986 0 O5'-C5'-C4' 114.619 3.156 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.969 0 OP1-P-OP2 113.778 -3.881 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.991 0 OP1-P-OP2 115.87 -2.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.887 0 O5'-C5'-C4' 115.307 3.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.903 0 O5'-C5'-C4' 115.678 3.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.954 0 OP1-P-OP2 115.211 -2.926 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.0 1 O5'-C5'-C4' 115.883 4.059 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 0 OP1-P-OP2 114.806 -3.196 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 0 O4'-C1'-C2' 102.391 -3.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O4'-C1'-N19 110.945 3.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.851 0 O5'-C5'-C4' 114.787 3.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.963 0 O4'-C1'-C2' 101.702 -3.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.805 0 O5'-C5'-C4' 114.322 2.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.918 0 OP1-P-OP2 115.511 -2.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.432 H2'' ' C6 ' ' D' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.536 1.832 0 O4'-C1'-N19 110.17 2.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.432 ' C6 ' H2'' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.537 1.903 2 O4'-C1'-N19 112.695 6.119 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.925 0 O5'-C5'-C4' 113.944 2.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 OP1-P-OP2 116.006 -2.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 O4'-C1'-C2' 103.378 -2.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.025 0 P-O5'-C5' 115.818 -3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 O4'-C1'-C2' 101.997 -3.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.843 0 O4'-C1'-C2' 102.869 -2.937 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 O4'-C1'-C2' 103.1 -2.727 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.948 0 O4'-C1'-N19 109.716 2.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.847 0 O5'-C5'-C4' 113.61 2.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 ttp . . . . . 0 CA--C 1.49 -1.333 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -94.71 -52.05 0.24 Allowed Pre-proline 0 N--CA 1.43 -1.447 0 CA-C-O 116.695 -1.622 . . . . 0.0 113.13 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -71.43 160.21 49.26 Favored 'Trans proline' 0 N--CA 1.433 -2.043 0 CA-C-N 124.512 2.647 . . . . 0.0 111.95 141.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.5 t -120.7 160.79 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 101.74 -3.43 . . . . 0.0 101.74 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.0 p -121.04 158.39 27.93 Favored 'General case' 0 N--CA 1.429 -1.476 0 O-C-N 120.011 -1.681 . . . . 0.0 109.678 -178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.404 HD23 ' H ' ' A' ' 7' ' ' TYR . 1.1 pt? -49.34 -31.85 10.11 Favored 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 126.381 1.872 . . . . 0.0 114.863 171.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.404 ' H ' HD23 ' A' ' 6' ' ' LEU . 78.6 m-85 -71.13 -40.74 71.24 Favored 'General case' 0 N--CA 1.429 -1.475 0 C-N-CA 125.791 1.636 . . . . 0.0 112.45 175.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -68.23 -39.25 82.39 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 124.817 1.247 . . . . 0.0 110.38 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 t -64.78 -45.91 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.415 0 C-N-CA 126.608 1.963 . . . . 0.0 111.243 172.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.95 -51.24 70.91 Favored 'General case' 0 N--CA 1.429 -1.487 0 C-N-CA 125.714 1.605 . . . . 0.0 114.378 177.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -61.12 -36.23 79.18 Favored 'General case' 0 N--CA 1.43 -1.425 0 C-N-CA 124.935 1.294 . . . . 0.0 114.04 176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -67.38 -49.18 64.99 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 121.266 -0.896 . . . . 0.0 113.001 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -75.28 -21.83 58.21 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.338 -2.101 . . . . 0.0 112.699 -178.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 91.9 34.97 6.97 Favored Glycine 0 N--CA 1.43 -1.715 0 O-C-N 119.9 -1.75 . . . . 0.0 113.595 179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -121.71 -165.4 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 C-N-CA 124.645 1.178 . . . . 0.0 111.3 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.2 t -98.93 162.34 13.14 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 123.073 1.416 . . . . 0.0 108.546 173.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -66.66 -33.95 76.79 Favored 'General case' 0 N--CA 1.431 -1.407 0 O-C-N 119.991 -1.693 . . . . 0.0 112.8 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -70.11 -30.1 67.21 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.005 -1.685 . . . . 0.0 113.738 173.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 43.2 m -61.52 -42.63 99.09 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.057 1.343 . . . . 0.0 110.739 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.447 ' O ' HG23 ' A' ' 24' ' ' VAL . 89.6 t -58.64 -59.21 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 C-N-CA 125.242 1.417 . . . . 0.0 113.627 171.222 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.7 m -55.44 -25.77 38.16 Favored 'General case' 0 N--CA 1.43 -1.457 0 N-CA-C 118.62 2.822 . . . . 0.0 118.62 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -71.77 -23.97 61.68 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.049 -1.657 . . . . 0.0 111.999 173.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -84.48 -48.62 16.65 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.432 0 CA-C-O 123.889 1.804 . . . . 0.0 110.14 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 20' ' ' VAL . 47.7 t -54.81 -43.34 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.461 0 C-N-CA 128.336 2.654 . . . . 0.0 113.07 178.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -84.21 -4.92 59.14 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 60.94 54.4 3.45 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.79 1.636 . . . . 0.0 114.811 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.44 -179.08 7.3 Favored 'General case' 0 N--CA 1.429 -1.49 0 N-CA-C 114.563 1.32 . . . . 0.0 114.563 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.6 m -78.72 -59.55 2.74 Favored 'General case' 0 N--CA 1.431 -1.383 0 O-C-N 120.605 -1.309 . . . . 0.0 112.844 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.6 m170 -79.55 72.58 6.22 Favored 'General case' 0 N--CA 1.429 -1.496 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.5 t -114.21 135.26 54.52 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.445 0 C-N-CA 127.649 2.379 . . . . 0.0 106.488 173.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.2 t -84.08 132.06 34.74 Favored 'General case' 0 N--CA 1.431 -1.39 0 O-C-N 121.3 -0.875 . . . . 0.0 109.228 177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.25 -33.53 73.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.425 1.639 . . . . 0.0 115.425 -177.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.3 mttm -70.32 -56.27 7.12 Favored 'General case' 0 N--CA 1.429 -1.524 0 CA-C-O 123.11 1.433 . . . . 0.0 110.693 176.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 m -57.71 -37.09 72.91 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 126.691 1.996 . . . . 0.0 114.778 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -49.83 -48.23 51.02 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 177.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.93 -10.55 29.82 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 115.926 1.824 . . . . 0.0 115.926 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -95.24 -43.11 8.21 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.723 -1.236 . . . . 0.0 108.904 177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.7 t -66.85 -46.87 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.397 0 C-N-CA 124.636 1.174 . . . . 0.0 113.025 177.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -56.4 -35.05 67.32 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 124.951 1.3 . . . . 0.0 111.972 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.17 -37.18 72.2 Favored 'General case' 0 N--CA 1.431 -1.416 0 C-N-CA 125.483 1.513 . . . . 0.0 113.293 172.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -64.05 -41.77 97.27 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.055 -1.653 . . . . 0.0 114.4 179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.1 mtt -57.59 -27.85 63.09 Favored 'General case' 0 N--CA 1.431 -1.376 0 O-C-N 120.654 -1.279 . . . . 0.0 113.649 171.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.84 -31.86 20.58 Favored 'General case' 0 N--CA 1.431 -1.402 0 C-N-CA 123.954 0.902 . . . . 0.0 113.32 -172.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -72.18 -59.33 2.79 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-O 123.145 1.45 . . . . 0.0 112.09 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.9 mt -74.84 -24.13 58.55 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 126.197 1.799 . . . . 0.0 114.285 -176.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 72.11 67.9 0.14 Allowed 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.727 2.411 . . . . 0.0 109.396 -178.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -63.08 115.25 4.28 Favored 'General case' 0 N--CA 1.43 -1.433 0 N-CA-C 116.565 2.061 . . . . 0.0 116.565 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.4 mp -105.12 108.2 60.74 Favored Pre-proline 0 N--CA 1.43 -1.452 0 N-CA-C 105.105 -2.183 . . . . 0.0 105.105 167.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -65.65 152.05 82.84 Favored 'Trans proline' 0 N--CA 1.434 -2.026 0 CA-C-N 123.913 2.433 . . . . 0.0 118.404 155.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -96.41 142.46 28.49 Favored 'General case' 0 N--CA 1.43 -1.457 0 CA-C-O 122.805 1.288 . . . . 0.0 109.004 175.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 60.0 mtt180 -82.36 -23.06 35.21 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 118.927 -2.358 . . . . 0.0 112.729 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 t -57.14 -41.29 77.51 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.405 0 C-N-CA 127.822 2.449 . . . . 0.0 111.049 170.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.45 -24.33 66.42 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 128.703 2.801 . . . . 0.0 114.464 176.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -88.51 -32.11 18.38 Favored 'General case' 0 N--CA 1.43 -1.425 0 O-C-N 120.429 -1.42 . . . . 0.0 112.101 174.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -80.47 -46.04 16.56 Favored 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 116.534 2.05 . . . . 0.0 116.534 -172.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.81 -46.13 79.77 Favored 'General case' 0 N--CA 1.43 -1.459 0 O-C-N 119.902 -1.749 . . . . 0.0 112.099 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.91 -44.89 50.49 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 130.012 3.325 . . . . 0.0 113.213 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.48 71.49 1.29 Allowed Glycine 0 N--CA 1.43 -1.731 0 C-N-CA 123.482 0.563 . . . . 0.0 113.778 171.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -64.46 133.23 52.06 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 123.01 1.386 . . . . 0.0 112.93 169.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -73.81 131.6 41.71 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.696 1.598 . . . . 0.0 114.518 -173.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.8 p -79.01 -50.72 10.65 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 126.679 1.992 . . . . 0.0 113.691 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.259 1.599 0 C-N-CA 127.148 2.179 . . . . 0.0 115.741 -178.002 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.2 ttp . . . . . 0 CA--C 1.49 -1.329 0 N-CA-C 114.599 1.333 . . . . 0.0 114.599 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -85.17 -53.68 0.46 Allowed Pre-proline 0 N--CA 1.429 -1.486 0 O-C-N 120.087 -1.633 . . . . 0.0 113.714 177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -69.73 165.19 31.76 Favored 'Trans proline' 0 N--CA 1.433 -2.056 0 CA-C-N 124.932 2.797 . . . . 0.0 111.966 144.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 22.9 t -125.41 164.18 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.464 0 N-CA-C 100.819 -3.771 . . . . 0.0 100.819 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 19.4 p -124.81 160.37 28.88 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 119.764 -1.835 . . . . 0.0 108.146 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.409 ' HG ' ' HB2' ' B' ' 17' ' ' TYR . 1.4 pt? -51.37 -30.63 19.51 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 115.732 1.753 . . . . 0.0 115.732 171.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -70.23 -39.77 74.9 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 125.96 1.704 . . . . 0.0 111.22 175.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.33 -34.51 74.74 Favored 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 124.77 1.228 . . . . 0.0 113.074 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.5 t -66.79 -47.02 84.09 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.506 0 C-N-CA 126.966 2.106 . . . . 0.0 109.908 171.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.74 68.54 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -58.66 -39.09 79.64 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 126.115 1.766 . . . . 0.0 112.564 174.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -67.98 -48.16 66.58 Favored 'General case' 0 N--CA 1.43 -1.455 0 O-C-N 120.106 -1.621 . . . . 0.0 114.368 175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -74.88 -20.73 59.6 Favored 'General case' 0 N--CA 1.431 -1.403 0 O-C-N 120.551 -1.343 . . . . 0.0 113.226 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.54 29.94 15.03 Favored Glycine 0 N--CA 1.43 -1.734 0 C-N-CA 124.962 1.268 . . . . 0.0 112.567 179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.4 m -121.26 -176.39 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.429 -1.5 0 C-N-CA 126.121 1.768 . . . . 0.0 111.364 -176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 36.5 t -84.44 163.2 19.62 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-O 123.762 1.744 . . . . 0.0 110.321 170.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.409 ' HB2' ' HG ' ' B' ' 6' ' ' LEU . 48.0 p90 -69.89 -32.5 70.86 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 119.163 -2.211 . . . . 0.0 112.24 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -69.65 -34.3 73.81 Favored 'General case' 0 N--CA 1.43 -1.464 0 O-C-N 120.327 -1.483 . . . . 0.0 112.247 173.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 85.2 m -59.87 -44.01 94.4 Favored 'General case' 0 N--CA 1.43 -1.432 0 C-N-CA 126.624 1.969 . . . . 0.0 110.673 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.421 ' HA ' HG11 ' B' ' 38' ' ' VAL . 65.7 t -57.12 -62.01 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.442 0 C-N-CA 124.88 1.272 . . . . 0.0 113.611 170.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 33.7 m -54.64 -28.2 45.24 Favored 'General case' 0 N--CA 1.431 -1.402 0 N-CA-C 118.726 2.861 . . . . 0.0 118.726 -177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -69.12 -21.47 64.03 Favored 'General case' 0 N--CA 1.429 -1.481 0 O-C-N 119.57 -1.956 . . . . 0.0 114.017 172.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 42.1 t -85.83 -45.06 17.07 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 O-C-N 120.458 -1.402 . . . . 0.0 109.688 178.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 20' ' ' VAL . 37.7 t -59.52 -46.58 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 C-N-CA 128.132 2.573 . . . . 0.0 113.31 179.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -79.78 -2.52 43.58 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.62 -1.3 . . . . 0.0 113.686 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 56.8 61.64 2.55 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 127.063 2.145 . . . . 0.0 113.768 -178.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.27 -176.91 5.83 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-O 123.273 1.511 . . . . 0.0 114.332 -176.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 62.8 m -78.98 -62.83 1.57 Allowed 'General case' 0 N--CA 1.431 -1.401 0 O-C-N 120.616 -1.302 . . . . 0.0 114.216 178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 45.0 m170 -81.1 71.69 8.09 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.218 1.485 . . . . 0.0 114.862 -176.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 73.8 t -111.95 139.01 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 N-CA-C 104.296 -2.483 . . . . 0.0 104.296 172.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 30.2 t -88.16 138.3 31.57 Favored 'General case' 0 N--CA 1.431 -1.389 0 CA-C-O 122.14 0.971 . . . . 0.0 109.006 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -30.83 71.84 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.609 -1.307 . . . . 0.0 114.409 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -72.52 -52.95 13.47 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.286 -1.509 . . . . 0.0 111.142 178.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 6.4 m -61.67 -38.32 87.35 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.597 1.959 . . . . 0.0 115.177 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -50.87 -47.68 60.41 Favored 'General case' 0 N--CA 1.43 -1.473 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.1 -11.14 12.5 Favored 'General case' 0 N--CA 1.43 -1.436 0 C-N-CA 127.032 2.133 . . . . 0.0 115.766 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.2 mtmt -96.11 -41.53 8.68 Favored 'General case' 0 N--CA 1.43 -1.438 0 O-C-N 120.131 -1.606 . . . . 0.0 109.117 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.421 HG11 ' HA ' ' B' ' 20' ' ' VAL . 22.7 t -68.67 -47.22 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 O-C-N 121.375 -0.828 . . . . 0.0 113.021 176.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -57.54 -32.19 66.84 Favored 'General case' 0 N--CA 1.43 -1.442 0 C-N-CA 125.445 1.498 . . . . 0.0 110.816 177.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.4 -31.57 62.38 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 124.525 1.13 . . . . 0.0 113.198 173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -67.98 -43.62 78.54 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 119.724 -1.86 . . . . 0.0 113.638 176.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 34.8 mtt -53.82 -28.92 38.38 Favored 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 126.288 1.835 . . . . 0.0 114.077 170.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.89 -37.03 24.82 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -69.17 -62.3 1.44 Allowed 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.627 -1.296 . . . . 0.0 112.761 -179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.3 -18.22 53.08 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -175.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . 0.252 0.3 OUTLIER 71.09 67.21 0.17 Allowed 'General case' 0 N--CA 1.428 -1.527 0 C-N-CA 127.05 2.14 . . . . 0.0 111.459 -178.22 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -59.84 118.39 6.14 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 116.823 2.157 . . . . 0.0 116.823 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.59 105.22 56.92 Favored Pre-proline 0 N--CA 1.43 -1.441 0 N-CA-C 104.214 -2.513 . . . . 0.0 104.214 168.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -61.71 145.26 97.53 Favored 'Trans proline' 0 C--N 1.3 -2.019 0 N-CA-C 118.923 2.624 . . . . 0.0 118.923 154.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -90.24 144.72 25.59 Favored 'General case' 0 N--CA 1.431 -1.414 0 CA-C-O 122.73 1.252 . . . . 0.0 110.064 174.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -81.41 -23.63 37.46 Favored 'General case' 0 N--CA 1.429 -1.495 0 O-C-N 119.184 -2.198 . . . . 0.0 111.949 178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 7.5 t -56.69 -42.46 76.93 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 C-N-CA 127.274 2.229 . . . . 0.0 112.253 171.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.9 -26.49 68.34 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 128.665 2.786 . . . . 0.0 114.465 175.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -87.54 -31.32 19.98 Favored 'General case' 0 N--CA 1.43 -1.454 0 O-C-N 120.913 -1.117 . . . . 0.0 112.044 174.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -81.08 -42.52 20.87 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 117.628 2.455 . . . . 0.0 117.628 -173.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' B' ' 56' ' ' LEU . 6.7 tp -67.65 -46.77 71.45 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 120.166 -1.584 . . . . 0.0 110.9 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.77 -44.62 38.97 Favored 'General case' 0 N--CA 1.43 -1.441 0 C-N-CA 129.926 3.29 . . . . 0.0 113.265 169.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.38 68.32 1.38 Allowed Glycine 0 N--CA 1.43 -1.706 0 O-C-N 121.326 -0.859 . . . . 0.0 114.057 171.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -61.1 129.05 39.41 Favored 'General case' 0 N--CA 1.431 -1.404 0 CA-C-O 122.799 1.285 . . . . 0.0 113.561 171.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -67.81 129.7 40.71 Favored 'General case' 0 N--CA 1.43 -1.454 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -173.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 16.1 p -79.77 -54.01 6.25 Favored 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 115.037 1.495 . . . . 0.0 115.037 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.594 ' H ' HD23 ' B' ' 62' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.261 1.683 0 N-CA-C 117.412 2.375 . . . . 0.0 117.412 -175.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.032 0 O4'-C1'-N19 110.606 3.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.895 0 O5'-C5'-C4' 115.18 3.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 1 O5'-C5'-C4' 116.168 4.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.952 0 O5'-C5'-C4' 115.033 3.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 O4'-C1'-N19 109.914 2.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.84 0 O5'-C5'-C4' 114.457 3.041 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.011 0 O5'-C5'-C4' 114.931 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.896 0 O4'-C1'-C2' 102.082 -3.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.973 0 O4'-C1'-C2' 103.537 -2.33 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.929 0 O4'-C1'-C2' 102.446 -3.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.908 0 O4'-C1'-N19 105.504 -2.869 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.923 0 O4'-C1'-N19 110.438 3.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 3 O4'-C1'-N19 112.378 5.723 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 C5'-C4'-C3' 110.654 -2.697 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.963 0 P-O3'-C3' 123.299 2.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.924 0 C3'-C2'-C1' 98.386 -3.081 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 C5'-C4'-C3' 111.646 -2.036 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.928 0 O5'-C5'-C4' 115.021 3.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.961 0 O4'-C1'-C2' 103.125 -2.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 OP1-P-OP2 114.4 -3.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.922 0 O5'-C5'-C4' 114.747 3.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.934 0 OP1-P-OP2 114.788 -3.208 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.952 1 O4'-C1'-N19 111.144 4.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.017 0 C3'-C2'-C1' 97.915 -3.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.999 0 O4'-C1'-C2' 101.83 -3.882 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 1 O5'-C5'-C4' 115.85 4.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.916 0 O4'-C1'-C2' 102.198 -3.547 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 1 P-O3'-C3' 124.722 4.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.939 0 P-O5'-C5' 116.204 -2.935 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.773 0 OP1-P-OP2 115.512 -2.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.924 0 OP1-P-OP2 115.609 -2.661 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.966 0 O4'-C1'-C2' 102.332 -3.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.958 0 C3'-C2'-C1' 106.17 2.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.923 1 O4'-C1'-N19 111.07 4.088 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.982 4 O4'-C1'-N19 115.277 9.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.842 0 C5'-C4'-C3' 109.395 -3.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.892 0 OP1-P-OP2 114.991 -3.073 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.893 0 O4'-C1'-C2' 102.569 -3.21 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.918 0 O5'-C5'-C4' 113.966 2.69 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.997 0 O5'-C5'-C4' 114.658 3.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.91 0 O4'-C1'-C2' 102.485 -3.286 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.96 0 O4'-C1'-N19 110.12 2.901 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.876 0 OP1-P-OP2 114.619 -3.321 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.855 0 C3'-C2'-C1' 106.014 2.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.8 ttm . . . . . 0 CA--C 1.491 -1.324 0 N-CA-C 111.24 0.089 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -85.49 153.82 58.95 Favored Pre-proline 0 N--CA 1.43 -1.465 0 O-C-N 120.869 -1.144 . . . . 0.0 113.8 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -70.64 130.64 18.58 Favored 'Trans proline' 0 N--CA 1.433 -2.037 0 CA-C-N 122.248 1.839 . . . . 0.0 110.972 144.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -122.15 163.89 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 N-CA-C 106.498 -1.668 . . . . 0.0 106.498 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 35.1 p -133.03 160.99 35.55 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.583 -1.266 . . . . 0.0 107.583 176.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.49 -29.56 25.62 Favored 'General case' 0 N--CA 1.431 -1.387 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 172.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -70.56 -38.07 74.08 Favored 'General case' 0 N--CA 1.429 -1.494 0 C-N-CA 126.901 2.08 . . . . 0.0 111.907 175.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -69.38 -38.2 77.91 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 125.777 1.631 . . . . 0.0 111.171 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 t -64.5 -46.79 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.439 0 C-N-CA 127.201 2.2 . . . . 0.0 110.816 170.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -51.37 69.92 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -61.97 -35.2 77.77 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.171 1.388 . . . . 0.0 114.042 175.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -69.61 -47.55 63.1 Favored 'General case' 0 N--CA 1.431 -1.418 0 O-C-N 120.246 -1.534 . . . . 0.0 113.285 174.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -77.64 -17.71 57.48 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.973 -1.704 . . . . 0.0 113.326 -174.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.92 45.45 7.66 Favored Glycine 0 N--CA 1.431 -1.682 0 O-C-N 120.333 -1.479 . . . . 0.0 112.271 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.2 m -135.79 -178.04 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.429 0 C-N-CA 125.77 1.628 . . . . 0.0 110.647 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.0 p -86.86 166.1 15.44 Favored 'General case' 0 N--CA 1.43 -1.436 0 O-C-N 120.52 -1.362 . . . . 0.0 111.85 174.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . 0.317 21.2 p90 -63.93 -40.47 96.52 Favored 'General case' 0 N--CA 1.429 -1.491 0 O-C-N 119.585 -1.947 . . . . 0.0 114.741 178.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -78.52 -9.52 59.36 Favored 'General case' 0 N--CA 1.43 -1.442 0 O-C-N 118.983 -2.323 . . . . 0.0 115.154 173.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 52.8 m -72.11 -35.22 69.11 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-O 123.399 1.571 . . . . 0.0 110.261 171.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' HA ' HG11 ' A' ' 38' ' ' VAL . 88.6 t -63.85 -58.81 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 O-C-N 118.797 -2.439 . . . . 0.0 112.938 171.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 94.2 p -56.96 -31.31 64.86 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.506 2.039 . . . . 0.0 116.506 -178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 26.7 ttm105 -55.91 -29.58 60.28 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 125.956 1.702 . . . . 0.0 114.168 171.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.9 t -88.31 -50.76 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.453 0 O-C-N 120.839 -1.163 . . . . 0.0 108.831 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 20' ' ' VAL . 41.4 t -48.6 -58.32 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 C-N-CA 127.993 2.517 . . . . 0.0 115.282 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -93.58 -4.93 49.99 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 66.07 73.02 0.39 Allowed 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.797 1.639 . . . . 0.0 113.757 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.51 -144.02 0.09 Allowed 'General case' 0 N--CA 1.43 -1.465 0 O-C-N 121.221 -0.924 . . . . 0.0 111.846 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 85.5 p -118.79 166.4 12.84 Favored 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 120.062 -1.648 . . . . 0.0 111.231 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . 0.27 13.1 t60 49.58 52.05 15.27 Favored 'General case' 0 N--CA 1.43 -1.433 0 C-N-CA 126.941 2.097 . . . . 0.0 114.409 -170.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.9 t -80.5 114.18 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 121.332 -0.855 . . . . 0.0 110.401 178.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.1 t -75.43 130.25 38.65 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.579 -1.326 . . . . 0.0 110.313 173.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.6 -36.16 82.91 Favored 'General case' 0 N--CA 1.43 -1.434 0 C-N-CA 125.293 1.437 . . . . 0.0 113.446 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -63.07 -52.84 61.15 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 119.572 -1.955 . . . . 0.0 111.414 174.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.0 m -68.73 -38.0 79.85 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 115.952 1.834 . . . . 0.0 115.952 178.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -47.07 -48.79 22.45 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 119.924 -1.735 . . . . 0.0 115.023 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -71.43 -9.77 58.7 Favored 'General case' 0 N--CA 1.43 -1.447 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -87.44 -41.01 13.87 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 125.053 1.341 . . . . 0.0 108.284 175.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.445 HG11 ' HA ' ' A' ' 20' ' ' VAL . 16.1 t -71.22 -41.49 75.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.485 0 O-C-N 121.061 -1.024 . . . . 0.0 112.578 176.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -54.91 -37.56 66.5 Favored 'General case' 0 N--CA 1.431 -1.419 0 C-N-CA 124.389 1.076 . . . . 0.0 112.412 176.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.74 -33.55 75.09 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 121.1 -1.0 . . . . 0.0 113.646 173.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -68.93 -41.87 77.53 Favored 'General case' 0 N--CA 1.43 -1.447 0 O-C-N 119.765 -1.834 . . . . 0.0 114.036 179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 30.7 mtt -54.99 -25.16 28.02 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 126.604 1.962 . . . . 0.0 115.43 169.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.5 -41.57 14.26 Favored 'General case' 0 N--CA 1.431 -1.406 0 CA-C-O 122.028 0.918 . . . . 0.0 112.099 -174.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -67.43 -59.88 3.03 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-O 124.127 1.918 . . . . 0.0 113.105 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.16 -20.75 44.15 Favored 'General case' 0 N--CA 1.43 -1.467 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.816 -173.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 72.2 66.81 0.13 Allowed 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 128.372 2.669 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.68 132.57 21.7 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.4 mm -102.89 102.45 27.32 Favored Pre-proline 0 N--CA 1.43 -1.469 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.59 112.47 1.97 Allowed 'Trans proline' 0 N--CA 1.434 -1.976 0 CA-C-N 122.795 2.034 . . . . 0.0 114.493 153.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -86.86 120.2 27.9 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.618 1.567 . . . . 0.0 108.39 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -80.75 -18.87 46.33 Favored 'General case' 0 N--CA 1.431 -1.424 0 O-C-N 120.203 -1.561 . . . . 0.0 112.917 -176.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.6 t -62.71 -45.88 97.75 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.42 0 C-N-CA 125.629 1.571 . . . . 0.0 111.737 173.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -48.71 77.61 Favored 'General case' 0 N--CA 1.429 -1.497 0 C-N-CA 128.113 2.565 . . . . 0.0 113.214 173.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -63.51 -29.06 70.39 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 126.456 1.903 . . . . 0.0 114.075 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -83.96 -40.26 18.7 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 120.571 -1.33 . . . . 0.0 112.172 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 56' ' ' LEU . 9.8 tp -68.16 -41.33 81.68 Favored 'General case' 0 N--CA 1.43 -1.432 0 O-C-N 120.737 -1.227 . . . . 0.0 113.642 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.19 -39.58 89.78 Favored 'General case' 0 N--CA 1.429 -1.481 0 C-N-CA 125.327 1.451 . . . . 0.0 110.243 170.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.49 -34.69 3.27 Favored Glycine 0 N--CA 1.43 -1.741 0 N-CA-C 121.649 3.42 . . . . 0.0 121.649 161.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -94.17 171.4 8.86 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -172.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -175.62 76.16 0.02 OUTLIER 'General case' 0 N--CA 1.43 -1.435 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.2 m -74.98 78.58 2.18 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 126.346 1.859 . . . . 0.0 115.02 -170.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 C--O 1.26 1.657 0 C-N-CA 125.377 1.471 . . . . 0.0 113.622 178.406 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 53.5 ttm . . . . . 0 CA--C 1.49 -1.33 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -80.2 160.68 67.6 Favored Pre-proline 0 N--CA 1.43 -1.449 0 O-C-N 120.252 -1.53 . . . . 0.0 114.11 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -73.56 139.59 28.57 Favored 'Trans proline' 0 C--N 1.3 -2.003 0 C-N-CA 123.342 2.694 . . . . 0.0 110.761 143.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 t -131.57 160.84 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.437 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -176.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.2 p -129.88 163.62 25.93 Favored 'General case' 0 N--CA 1.431 -1.404 0 O-C-N 120.23 -1.544 . . . . 0.0 108.048 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.417 HD23 ' H ' ' B' ' 7' ' ' TYR . 0.9 OUTLIER -51.67 -32.35 29.35 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 171.085 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.417 ' H ' HD23 ' B' ' 6' ' ' LEU . 74.2 m-85 -68.54 -38.51 80.89 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 125.926 1.691 . . . . 0.0 112.074 175.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.91 -39.38 76.21 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.287 -1.508 . . . . 0.0 111.174 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.2 t -62.29 -45.35 98.96 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 C-N-CA 126.472 1.909 . . . . 0.0 110.826 172.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.5 -54.66 43.16 Favored 'General case' 0 N--CA 1.43 -1.464 0 C-N-CA 126.107 1.763 . . . . 0.0 115.511 174.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -59.96 -37.97 81.13 Favored 'General case' 0 N--CA 1.431 -1.378 0 C-N-CA 125.053 1.341 . . . . 0.0 113.193 177.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -68.39 -48.6 64.25 Favored 'General case' 0 N--CA 1.43 -1.436 0 CA-C-N 119.36 0.982 . . . . 0.0 112.767 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -75.28 -22.94 57.4 Favored 'General case' 0 N--CA 1.429 -1.487 0 O-C-N 119.355 -2.09 . . . . 0.0 112.217 -175.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.69 41.19 6.49 Favored Glycine 0 N--CA 1.43 -1.733 0 O-C-N 120.459 -1.401 . . . . 0.0 111.888 178.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.2 m -131.01 -174.07 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.441 0 C-N-CA 125.107 1.363 . . . . 0.0 109.638 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 84.8 p -90.73 165.26 13.77 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 122.637 1.208 . . . . 0.0 111.331 174.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . 0.26 17.7 p90 -66.13 -39.28 89.76 Favored 'General case' 0 N--CA 1.431 -1.413 0 O-C-N 119.105 -2.247 . . . . 0.0 114.172 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -74.42 -17.8 60.74 Favored 'General case' 0 N--CA 1.43 -1.427 0 O-C-N 119.978 -1.701 . . . . 0.0 114.585 172.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 55.3 m -67.87 -34.31 76.43 Favored 'General case' 0 N--CA 1.429 -1.498 0 O-C-N 119.791 -1.818 . . . . 0.0 110.777 173.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.434 ' HA ' HG11 ' B' ' 38' ' ' VAL . 72.8 t -63.85 -59.98 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 O-C-N 120.836 -1.165 . . . . 0.0 112.389 170.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -57.61 -32.62 67.39 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 116.497 2.036 . . . . 0.0 116.497 -177.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 25.5 ttm105 -51.75 -31.27 25.98 Favored 'General case' 0 N--CA 1.431 -1.4 0 C-N-CA 125.856 1.662 . . . . 0.0 115.016 169.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 48.5 t -87.89 -50.16 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.425 0 O-C-N 120.204 -1.56 . . . . 0.0 109.668 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 20' ' ' VAL . 48.9 t -48.5 -58.74 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 127.915 2.486 . . . . 0.0 114.862 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -94.83 -6.66 42.32 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 121.028 -1.045 . . . . 0.0 112.884 -177.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 37.6 mm-40 67.0 83.06 0.17 Allowed 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 125.53 1.532 . . . . 0.0 113.569 -175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.61 -156.97 0.51 Allowed 'General case' 0 N--CA 1.43 -1.471 0 O-C-N 120.933 -1.104 . . . . 0.0 110.764 176.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.1 p -100.83 168.94 9.33 Favored 'General case' 0 N--CA 1.43 -1.431 0 O-C-N 120.727 -1.233 . . . . 0.0 111.231 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . 0.314 7.0 t60 47.68 48.96 16.91 Favored 'General case' 0 N--CA 1.43 -1.467 0 C-N-CA 127.744 2.418 . . . . 0.0 115.712 -174.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 48.5 t -75.63 118.78 22.3 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 O-C-N 120.709 -1.245 . . . . 0.0 110.873 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 42.0 t -81.99 129.63 34.84 Favored 'General case' 0 N--CA 1.43 -1.457 0 O-C-N 119.624 -1.922 . . . . 0.0 109.648 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.09 -42.36 99.59 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 125.465 1.506 . . . . 0.0 114.398 -176.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -61.22 -49.76 75.82 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 126.678 1.991 . . . . 0.0 112.924 173.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 21.7 m -64.7 -41.49 95.99 Favored 'General case' 0 N--CA 1.429 -1.504 0 O-C-N 119.943 -1.723 . . . . 0.0 113.975 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.7 ttt-85 -47.25 -50.58 20.93 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 119.674 -1.891 . . . . 0.0 114.474 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.15 -13.73 62.23 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 178.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -85.69 -41.96 14.69 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 120.719 -1.238 . . . . 0.0 108.733 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.434 HG11 ' HA ' ' B' ' 20' ' ' VAL . 21.5 t -71.26 -43.15 74.55 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.39 0 O-C-N 121.483 -0.76 . . . . 0.0 111.992 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -52.52 -36.17 54.77 Favored 'General case' 0 N--CA 1.431 -1.404 0 C-N-CA 125.011 1.325 . . . . 0.0 112.673 175.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.66 -35.92 73.1 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.563 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -65.14 -42.5 93.77 Favored 'General case' 0 N--CA 1.43 -1.466 0 O-C-N 119.536 -1.977 . . . . 0.0 114.538 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 33.4 mtt -53.57 -33.61 55.37 Favored 'General case' 0 N--CA 1.429 -1.484 0 C-N-CA 124.855 1.262 . . . . 0.0 113.621 169.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.65 -36.5 37.69 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -173.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -71.74 -50.99 25.13 Favored 'General case' 0 N--CA 1.43 -1.469 0 CA-C-O 123.898 1.809 . . . . 0.0 112.526 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 14.0 mt -81.04 -29.83 34.98 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.271 1.828 . . . . 0.0 112.476 -176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 75.05 64.61 0.07 Allowed 'General case' 0 N--CA 1.43 -1.437 0 C-N-CA 127.531 2.332 . . . . 0.0 109.866 -176.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.99 132.35 37.5 Favored 'General case' 0 N--CA 1.431 -1.397 0 N-CA-C 116.247 1.943 . . . . 0.0 116.247 -178.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 27.6 mm -100.32 103.2 21.76 Favored Pre-proline 0 N--CA 1.43 -1.437 0 C-N-CA 126.801 2.041 . . . . 0.0 106.567 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -63.86 114.14 2.47 Favored 'Trans proline' 0 C--N 1.299 -2.032 0 CA-C-N 123.424 2.259 . . . . 0.0 115.098 153.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -89.89 123.89 34.23 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 124.304 1.041 . . . . 0.0 109.47 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -80.88 -21.93 40.23 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.623 -1.923 . . . . 0.0 113.562 -176.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 6.3 t -59.38 -46.63 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 126.284 1.834 . . . . 0.0 111.388 172.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.44 -28.86 70.26 Favored 'General case' 0 N--CA 1.43 -1.455 0 C-N-CA 127.916 2.487 . . . . 0.0 113.376 173.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -81.66 -22.78 37.32 Favored 'General case' 0 N--CA 1.43 -1.444 0 O-C-N 118.901 -2.375 . . . . 0.0 111.323 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.85 -39.88 12.08 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 124.551 1.14 . . . . 0.0 113.126 -178.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' B' ' 56' ' ' LEU . 10.1 tp -68.16 -39.5 82.58 Favored 'General case' 0 N--CA 1.43 -1.443 0 O-C-N 119.623 -1.923 . . . . 0.0 114.204 -179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.84 -40.72 75.68 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.499 1.52 . . . . 0.0 110.04 169.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 85.63 -37.34 3.06 Favored Glycine 0 N--CA 1.429 -1.809 0 N-CA-C 121.464 3.346 . . . . 0.0 121.464 162.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -87.79 170.05 11.54 Favored 'General case' 0 N--CA 1.43 -1.449 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -170.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -173.4 79.68 0.04 OUTLIER 'General case' 0 N--CA 1.43 -1.474 0 C-N-CA 125.745 1.618 . . . . 0.0 106.912 175.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 14.4 m -73.19 69.71 1.08 Allowed 'General case' 0 N--CA 1.43 -1.455 0 N-CA-C 117.426 2.38 . . . . 0.0 117.426 -171.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--O 1.26 1.634 0 N-CA-C 115.106 1.521 . . . . 0.0 115.106 178.676 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.85 0 C3'-C2'-C1' 97.241 -3.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.931 0 O4'-C1'-C2' 101.85 -3.863 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.963 0 O5'-C5'-C4' 115.48 3.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.815 0 C1'-O4'-C4' 104.95 -3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.984 1 O5'-C5'-C4' 116.092 4.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.883 0 O5'-C5'-C4' 115.128 3.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.8 0 O5'-C5'-C4' 113.867 2.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.885 0 O5'-C5'-C4' 115.669 3.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.872 0 O5'-C5'-C4' 113.611 2.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.915 0 O5'-C5'-C4' 114.326 2.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.901 0 O5'-C5'-C4' 114.786 3.276 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.963 0 O4'-C1'-C2' 103.298 -2.547 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.931 3 O4'-C1'-N19 113.567 7.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.004 0 O5'-C5'-C4' 114.589 3.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.975 0 O5'-C5'-C4' 114.315 2.939 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.842 0 O4'-C1'-C2' 102.12 -3.618 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.894 0 O5'-C5'-C4' 115.618 3.87 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 C5'-C4'-C3' 110.117 -3.055 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.982 0 P-O5'-C5' 115.522 -3.361 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.805 0 OP1-P-OP2 114.235 -3.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.894 1 O4'-C1'-N19 112.206 5.507 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.901 0 O5'-C5'-C4' 113.806 2.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.889 0 C3'-C2'-C1' 97.697 -3.574 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.971 0 O4'-C1'-C2' 102.611 -3.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.909 0 O5'-C5'-C4' 114.367 2.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 0 O4'-C1'-C2' 102.471 -3.3 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.955 1 O5'-C5'-C4' 116.072 4.194 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.973 0 O5'-C5'-C4' 114.79 3.278 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 0 O5'-C5'-C4' 115.473 3.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.869 0 O5'-C5'-C4' 115.547 3.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.925 0 O4'-C1'-C2' 102.949 -2.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.869 0 OP1-P-OP2 115.906 -2.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.865 0 C3'-C2'-C1' 105.938 2.313 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.801 0 O5'-C5'-C4' 114.647 3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.947 3 O4'-C1'-N19 112.586 5.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.913 0 OP1-P-OP2 115.951 -2.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.9 0 P-O5'-C5' 114.983 -3.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.854 0 O4'-C1'-C2' 102.795 -3.004 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.976 0 O4'-C1'-N19 110.494 3.367 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.932 0 O4'-C1'-C2' 103.13 -2.7 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.884 0 O5'-C5'-C4' 115.263 3.616 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.848 0 P-O5'-C5' 115.916 -3.115 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.937 1 O4'-C1'-N19 111.33 4.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.862 0 C5'-C4'-C3' 110.557 -2.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.7 ttp . . . . . 0 CA--C 1.491 -1.314 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -77.66 151.43 79.97 Favored Pre-proline 0 N--CA 1.43 -1.448 0 CA-C-O 116.439 -1.743 . . . . 0.0 115.609 -174.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -80.33 132.53 9.2 Favored 'Trans proline' 0 N--CA 1.434 -2.013 0 CA-C-N 123.408 2.253 . . . . 0.0 110.727 -154.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -108.06 161.98 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 -175.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 p -122.35 165.36 16.4 Favored 'General case' 0 N--CA 1.43 -1.434 0 O-C-N 120.817 -1.177 . . . . 0.0 110.056 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.4 -33.04 28.53 Favored 'General case' 0 N--CA 1.43 -1.448 0 C-N-CA 127.331 2.252 . . . . 0.0 115.525 170.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -72.46 -37.62 68.46 Favored 'General case' 0 N--CA 1.43 -1.449 0 C-N-CA 125.547 1.539 . . . . 0.0 112.186 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -72.15 -35.07 68.95 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 120.38 -1.45 . . . . 0.0 112.379 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 t -67.39 -44.48 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.457 0 C-N-CA 127.817 2.447 . . . . 0.0 110.228 170.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.38 -52.55 64.18 Favored 'General case' 0 N--CA 1.43 -1.45 0 C-N-CA 125.762 1.625 . . . . 0.0 114.57 175.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -60.32 -34.98 74.58 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.963 1.705 . . . . 0.0 114.303 176.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -70.42 -45.95 64.87 Favored 'General case' 0 N--CA 1.43 -1.441 0 O-C-N 119.896 -1.753 . . . . 0.0 113.582 175.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -76.81 -24.94 52.77 Favored 'General case' 0 N--CA 1.431 -1.406 0 O-C-N 120.229 -1.544 . . . . 0.0 111.639 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.13 38.09 4.68 Favored Glycine 0 N--CA 1.43 -1.728 0 C-N-CA 125.558 1.551 . . . . 0.0 113.408 178.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.0 m -127.82 -177.96 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 C-N-CA 124.3 1.04 . . . . 0.0 110.561 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.1 t -82.77 155.82 24.03 Favored 'General case' 0 N--CA 1.43 -1.448 0 CA-C-O 122.564 1.173 . . . . 0.0 110.921 169.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -66.84 -26.52 66.95 Favored 'General case' 0 N--CA 1.43 -1.44 0 O-C-N 119.812 -1.805 . . . . 0.0 113.214 175.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -72.35 -35.16 68.46 Favored 'General case' 0 N--CA 1.431 -1.411 0 O-C-N 120.443 -1.411 . . . . 0.0 111.318 173.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 58.4 m -61.28 -41.92 97.76 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 124.84 1.256 . . . . 0.0 111.641 173.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.78 -52.46 59.84 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 173.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.8 t -50.57 -44.27 56.66 Favored 'General case' 0 N--CA 1.43 -1.435 0 C-N-CA 126.648 1.979 . . . . 0.0 114.908 177.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.4 mtm-85 -62.19 -15.51 46.92 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 175.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -96.53 -53.6 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.431 0 O-C-N 120.219 -1.551 . . . . 0.0 110.092 177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 78.2 t -48.21 -55.77 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.476 0 C-N-CA 131.21 3.804 . . . . 0.0 114.769 -178.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -88.85 6.42 39.19 Favored 'General case' 0 N--CA 1.43 -1.446 0 O-C-N 120.64 -1.288 . . . . 0.0 113.695 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 58.31 74.92 0.41 Allowed 'General case' 0 N--CA 1.43 -1.429 0 C-N-CA 127.725 2.41 . . . . 0.0 115.608 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.05 174.57 7.82 Favored 'General case' 0 N--CA 1.431 -1.402 0 O-C-N 121.094 -1.004 . . . . 0.0 111.511 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 21.6 m -71.9 -49.15 40.38 Favored 'General case' 0 N--CA 1.431 -1.419 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -75.58 75.46 2.6 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 -174.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.629 HG13 ' HG3' ' A' ' 35' ' ' ARG . 39.4 t -122.12 110.61 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.408 0 C-N-CA 126.292 1.837 . . . . 0.0 109.535 176.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.0 p -90.1 6.52 42.12 Favored 'General case' 0 N--CA 1.43 -1.435 0 O-C-N 120.772 -1.205 . . . . 0.0 113.595 173.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.07 -43.53 0.56 Allowed 'General case' 0 N--CA 1.43 -1.46 0 N-CA-C 118.968 2.951 . . . . 0.0 118.968 174.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -40.55 -51.81 2.9 Favored 'General case' 0 N--CA 1.431 -1.414 0 C-N-CA 128.807 2.843 . . . . 0.0 114.485 -175.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.7 m -88.43 -37.64 15.67 Favored 'General case' 0 N--CA 1.43 -1.456 0 CA-C-N 113.827 -1.533 . . . . 0.0 111.503 177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.629 ' HG3' HG13 ' A' ' 30' ' ' VAL . 10.2 mmt180 -64.42 -24.88 67.78 Favored 'General case' 0 N--CA 1.429 -1.479 0 O-C-N 119.733 -1.854 . . . . 0.0 115.476 -173.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -56.71 -28.97 61.93 Favored 'General case' 0 N--CA 1.43 -1.426 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 168.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -86.48 -33.62 20.3 Favored 'General case' 0 N--CA 1.43 -1.457 0 C-N-CA 124.845 1.258 . . . . 0.0 109.583 -178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.3 t -66.94 -43.14 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 C-N-CA 124.876 1.27 . . . . 0.0 111.888 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -63.52 -25.57 68.31 Favored 'General case' 0 N--CA 1.43 -1.454 0 C-N-CA 124.406 1.082 . . . . 0.0 111.702 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.77 -32.44 40.96 Favored 'General case' 0 N--CA 1.429 -1.496 0 C-N-CA 123.89 0.876 . . . . 0.0 112.844 172.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.524 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -63.7 -46.05 87.24 Favored 'General case' 0 N--CA 1.431 -1.396 0 O-C-N 119.335 -2.103 . . . . 0.0 113.528 179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 ptp -64.94 -12.43 49.56 Favored 'General case' 0 N--CA 1.431 -1.42 0 O-C-N 120.69 -1.256 . . . . 0.0 113.349 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.52 -42.25 10.94 Favored 'General case' 0 N--CA 1.43 -1.469 0 O-C-N 120.825 -1.172 . . . . 0.0 112.891 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.65 -58.92 4.58 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-O 123.512 1.625 . . . . 0.0 112.278 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.92 -31.85 71.91 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 127.527 2.331 . . . . 0.0 113.74 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . 0.256 1.0 OUTLIER 71.24 70.97 0.18 Allowed 'General case' 0 N--CA 1.43 -1.459 0 C-N-CA 127.679 2.392 . . . . 0.0 109.732 -176.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -59.58 139.29 57.29 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 125.905 1.682 . . . . 0.0 114.816 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.3 mm -107.88 99.2 29.01 Favored Pre-proline 0 N--CA 1.431 -1.4 0 N-CA-C 104.004 -2.591 . . . . 0.0 104.004 175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -62.13 116.13 3.28 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 CA-C-N 122.836 2.049 . . . . 0.0 116.23 155.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -84.92 123.44 30.5 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 125.271 1.428 . . . . 0.0 109.818 179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -80.18 -18.84 48.55 Favored 'General case' 0 N--CA 1.43 -1.437 0 O-C-N 118.508 -2.62 . . . . 0.0 113.412 -175.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -70.32 -40.64 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 O-C-N 119.275 -2.141 . . . . 0.0 110.241 174.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -28.53 69.78 Favored 'General case' 0 N--CA 1.43 -1.462 0 C-N-CA 127.825 2.45 . . . . 0.0 113.354 173.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -83.42 -23.98 32.1 Favored 'General case' 0 N--CA 1.43 -1.452 0 O-C-N 120.011 -1.68 . . . . 0.0 113.093 175.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -84.5 -49.15 8.88 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 117.49 2.404 . . . . 0.0 117.49 -175.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 56' ' ' LEU . 8.1 tp -64.44 -43.76 93.26 Favored 'General case' 0 N--CA 1.43 -1.453 0 O-C-N 120.325 -1.484 . . . . 0.0 112.243 -177.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.68 -44.66 57.85 Favored 'General case' 0 N--CA 1.43 -1.447 0 C-N-CA 129.224 3.01 . . . . 0.0 113.288 168.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.66 54.97 1.1 Allowed Glycine 0 N--CA 1.43 -1.742 0 N-CA-C 117.055 1.582 . . . . 0.0 117.055 168.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 tmtm? -59.6 121.33 11.32 Favored 'General case' 0 N--CA 1.43 -1.43 0 N-CA-C 116.651 2.093 . . . . 0.0 116.651 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -91.37 147.76 22.8 Favored 'General case' 0 N--CA 1.43 -1.445 0 C-N-CA 126.045 1.738 . . . . 0.0 111.569 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.0 t -80.3 124.58 28.96 Favored 'General case' 0 N--CA 1.429 -1.494 0 O-C-N 120.819 -1.176 . . . . 0.0 110.506 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . 0.318 10.9 tp . . . . . 0 C--O 1.26 1.621 0 C-N-CA 128.829 2.852 . . . . 0.0 117.747 178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.8 ttp . . . . . 0 CA--C 1.489 -1.401 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -78.79 156.81 77.32 Favored Pre-proline 0 N--CA 1.43 -1.467 0 CA-C-O 115.649 -2.12 . . . . 0.0 112.266 -175.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -79.89 156.07 23.62 Favored 'Trans proline' 0 C--N 1.3 -1.992 0 CA-C-N 122.386 1.888 . . . . 0.0 108.556 -156.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 t -126.53 170.32 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.43 0 N-CA-C 104.455 -2.424 . . . . 0.0 104.455 -177.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 28.1 p -129.59 163.04 26.86 Favored 'General case' 0 N--CA 1.43 -1.462 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.8 -32.0 29.57 Favored 'General case' 0 N--CA 1.431 -1.424 0 C-N-CA 126.46 1.904 . . . . 0.0 115.367 170.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -71.31 -36.68 71.71 Favored 'General case' 0 N--CA 1.431 -1.411 0 C-N-CA 126.209 1.804 . . . . 0.0 112.413 175.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -75.71 -31.08 59.52 Favored 'General case' 0 N--CA 1.43 -1.458 0 O-C-N 120.532 -1.355 . . . . 0.0 111.028 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.2 t -68.07 -47.04 80.39 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 126.807 2.043 . . . . 0.0 110.162 169.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.58 -52.75 62.69 Favored 'General case' 0 N--CA 1.431 -1.424 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -58.43 -36.55 73.8 Favored 'General case' 0 N--CA 1.43 -1.456 0 C-N-CA 125.112 1.365 . . . . 0.0 114.274 176.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -70.08 -44.53 68.9 Favored 'General case' 0 N--CA 1.431 -1.394 0 O-C-N 120.677 -1.264 . . . . 0.0 113.868 174.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -77.62 -18.83 56.39 Favored 'General case' 0 N--CA 1.429 -1.475 0 O-C-N 119.197 -2.189 . . . . 0.0 112.998 -177.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.31 16.18 Favored Glycine 0 N--CA 1.429 -1.769 0 C-N-CA 125.948 1.737 . . . . 0.0 113.937 177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 30.1 m -122.34 -174.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.427 0 C-N-CA 125.344 1.457 . . . . 0.0 110.782 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.3 t -92.66 154.71 18.19 Favored 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 124.295 1.038 . . . . 0.0 110.056 171.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -59.4 -31.17 69.01 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 126.804 2.042 . . . . 0.0 114.413 174.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 67.3 mm-40 -69.89 -33.72 72.59 Favored 'General case' 0 N--CA 1.429 -1.503 0 O-C-N 120.339 -1.475 . . . . 0.0 111.617 174.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -65.86 -42.84 89.88 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 125.532 1.533 . . . . 0.0 110.869 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.72 -51.87 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.499 0 C-N-CA 125.465 1.506 . . . . 0.0 114.387 174.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 45.0 t -51.99 -40.87 61.63 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 125.861 1.664 . . . . 0.0 114.872 177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 56.7 mtm-85 -67.36 -8.28 31.42 Favored 'General case' 0 N--CA 1.43 -1.443 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 174.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.41 -54.08 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.402 0 O-C-N 119.552 -1.968 . . . . 0.0 109.098 174.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 88.0 t -46.7 -55.06 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.404 0 C-N-CA 130.289 3.436 . . . . 0.0 114.501 -178.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -90.95 13.54 16.33 Favored 'General case' 0 N--CA 1.43 -1.468 0 O-C-N 119.089 -2.257 . . . . 0.0 113.524 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 53.66 77.02 0.19 Allowed 'General case' 0 N--CA 1.43 -1.446 0 C-N-CA 127.553 2.341 . . . . 0.0 114.45 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.83 179.0 7.12 Favored 'General case' 0 N--CA 1.43 -1.428 0 CA-C-O 122.67 1.224 . . . . 0.0 111.288 177.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 25.1 m -82.38 -45.39 14.92 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 120.214 -1.554 . . . . 0.0 112.665 -177.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -74.55 71.42 1.85 Allowed 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.656 HG13 ' HG3' ' B' ' 35' ' ' ARG . 25.2 t -117.68 108.86 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.471 0 C-N-CA 125.864 1.665 . . . . 0.0 110.72 174.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 36.3 p -87.76 8.08 27.35 Favored 'General case' 0 N--CA 1.428 -1.537 0 O-C-N 120.434 -1.416 . . . . 0.0 114.456 175.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.87 -47.61 0.65 Allowed 'General case' 0 N--CA 1.429 -1.488 0 N-CA-C 119.734 3.235 . . . . 0.0 119.734 175.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -42.59 -53.04 4.59 Favored 'General case' 0 N--CA 1.431 -1.423 0 C-N-CA 127.768 2.427 . . . . 0.0 114.309 -173.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 12.4 m -87.27 -35.56 18.41 Favored 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.308 -1.315 . . . . 0.0 111.699 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.656 ' HG3' HG13 ' B' ' 30' ' ' VAL . 11.2 mmt180 -65.3 -27.88 68.93 Favored 'General case' 0 N--CA 1.43 -1.448 0 O-C-N 119.385 -2.072 . . . . 0.0 114.495 -174.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -54.46 -28.28 43.41 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 169.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -89.08 -33.25 17.18 Favored 'General case' 0 N--CA 1.429 -1.478 0 C-N-CA 125.741 1.616 . . . . 0.0 109.958 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 44.6 t -64.43 -43.72 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 C-N-CA 124.222 1.009 . . . . 0.0 111.903 171.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -60.05 -31.54 70.08 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 124.625 1.17 . . . . 0.0 111.909 175.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.65 -35.92 67.85 Favored 'General case' 0 N--CA 1.429 -1.492 0 O-C-N 120.895 -1.128 . . . . 0.0 112.307 172.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -62.09 -49.21 76.83 Favored 'General case' 0 N--CA 1.43 -1.472 0 O-C-N 119.499 -2.001 . . . . 0.0 114.296 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 3.1 ptp -63.33 -16.36 60.16 Favored 'General case' 0 N--CA 1.429 -1.512 0 C-N-CA 124.439 1.096 . . . . 0.0 113.096 175.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -86.65 -44.6 11.72 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 124.353 1.061 . . . . 0.0 113.306 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -63.11 -56.52 16.17 Favored 'General case' 0 N--CA 1.43 -1.466 0 CA-C-O 123.438 1.59 . . . . 0.0 113.444 179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 10.6 mt -71.14 -27.58 63.66 Favored 'General case' 0 N--CA 1.43 -1.44 0 C-N-CA 126.79 2.036 . . . . 0.0 113.353 -177.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 69.87 67.28 0.23 Allowed 'General case' 0 N--CA 1.431 -1.38 0 C-N-CA 128.488 2.715 . . . . 0.0 109.924 -176.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -57.07 137.31 55.94 Favored 'General case' 0 N--CA 1.429 -1.505 0 C-N-CA 126.799 2.039 . . . . 0.0 114.578 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.6 mm -108.44 99.7 34.16 Favored Pre-proline 0 N--CA 1.429 -1.485 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -64.29 112.74 1.99 Allowed 'Trans proline' 0 C--N 1.3 -1.995 0 N-CA-C 116.678 1.761 . . . . 0.0 116.678 158.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -83.75 128.96 34.91 Favored 'General case' 0 N--CA 1.43 -1.471 0 C-N-CA 125.111 1.364 . . . . 0.0 112.146 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -83.23 -26.5 30.71 Favored 'General case' 0 N--CA 1.43 -1.445 0 O-C-N 119.958 -1.714 . . . . 0.0 113.52 -173.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.81 -40.18 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.475 0 O-C-N 119.847 -1.783 . . . . 0.0 110.488 174.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.75 -26.35 68.6 Favored 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 128.066 2.547 . . . . 0.0 113.226 173.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -86.49 -25.79 24.95 Favored 'General case' 0 N--CA 1.429 -1.489 0 O-C-N 120.233 -1.542 . . . . 0.0 112.973 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.99 -46.78 12.47 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 116.848 2.166 . . . . 0.0 116.848 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 tp -66.11 -40.05 90.43 Favored 'General case' 0 N--CA 1.431 -1.42 0 CA-C-N 120.05 1.296 . . . . 0.0 111.848 -178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.67 -39.38 73.68 Favored 'General case' 0 N--CA 1.43 -1.443 0 C-N-CA 129.115 2.966 . . . . 0.0 113.16 170.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.75 53.9 2.16 Favored Glycine 0 N--CA 1.43 -1.736 0 N-CA-C 118.854 2.301 . . . . 0.0 118.854 170.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -56.71 127.68 32.72 Favored 'General case' 0 N--CA 1.431 -1.417 0 N-CA-C 116.726 2.121 . . . . 0.0 116.726 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -97.31 147.4 24.19 Favored 'General case' 0 N--CA 1.43 -1.473 0 C-N-CA 124.255 1.022 . . . . 0.0 109.839 -178.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 13.7 t -82.33 114.28 20.7 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 120.024 -1.673 . . . . 0.0 111.967 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 12.3 tp . . . . . 0 C--O 1.26 1.638 0 C-N-CA 126.055 1.742 . . . . 0.0 113.312 177.281 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.982 0 C3'-C2'-C1' 97.998 -3.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.981 0 O4'-C1'-C2' 103.149 -2.683 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.957 0 C4'-C3'-O3' 117.125 3.102 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.929 1 P-O3'-C3' 132.81 10.925 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.004 1 OP1-P-OP2 113.348 -4.168 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.901 3 O5'-C5'-C4' 116.184 4.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 0 O5'-C5'-C4' 114.936 3.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.895 0 O5'-C5'-C4' 115.094 3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.838 1 O4'-C1'-C2' 101.638 -4.056 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.884 0 O4'-C1'-C2' 102.005 -3.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.886 0 C4'-C3'-C2' 99.893 -3.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.94 0 P-O3'-C3' 123.103 2.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.871 2 O4'-C1'-N19 113.235 6.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.884 0 P-O5'-C5' 116.634 -2.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.907 0 O5'-C5'-C4' 115.04 3.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.539 2.055 0 O5'-C5'-C4' 114.929 3.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.88 0 O5'-C5'-C4' 114.972 3.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.437 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.538 1.961 0 OP1-P-OP2 114.936 -3.109 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.437 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.538 1.995 0 O5'-C5'-C4' 113.807 2.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.941 1 O4'-C1'-N19 111.175 4.219 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.852 0 O5'-C5'-C4' 113.923 2.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.977 0 O5'-C5'-C4' 113.429 2.307 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.867 0 O4'-C1'-C2' 103.009 -2.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 2.009 0 O4'-C1'-C2' 102.59 -3.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 O4'-C1'-C2' 102.504 -3.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.895 1 O4'-C1'-C2' 101.517 -4.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.798 0 OP1-P-OP2 113.984 -3.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.84 1 O5'-C5'-C4' 115.872 4.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.831 0 OP1-P-OP2 114.371 -3.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.92 0 O5'-C5'-C4' 114.044 2.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.899 0 O4'-C1'-C2' 102.251 -3.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.868 0 O4'-C1'-C2' 102.616 -3.167 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.956 0 C4'-C3'-C2' 99.481 -3.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.778 0 P-O3'-C3' 122.409 2.257 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.938 1 O4'-C1'-N19 113.493 7.116 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 0 C5'-C4'-C3' 109.222 -3.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.903 0 OP1-P-OP2 115.349 -2.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.818 0 O4'-C1'-C2' 102.471 -3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.926 0 OP1-P-OP2 115.528 -2.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.991 0 O5'-C5'-C4' 114.256 2.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.868 0 O5'-C5'-C4' 114.424 3.017 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.936 0 O4'-C1'-N19 110.628 3.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.863 0 O4'-C1'-N19 110.512 3.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.852 0 O5'-C5'-C4' 114.403 3.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_