data_6vg7_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6vg7 _Structure_validation_residue.Date_analyzed 2020-08-14 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.606 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 49.9 ttp . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.307 -0.257 . . . . 2.65 110.307 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -83.14 121.49 27.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.252 -0.277 . . . . 1.23 110.252 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -100.66 123.9 45.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.14 0.495 . . . . 1.11 111.03 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 44.8 m-85 -113.92 161.72 17.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.86 -0.609 . . . . 2.21 109.969 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.3 p -149.14 132.33 7.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.499 0.666 . . . . 1.71 111.057 172.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -111.31 160.89 16.61 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.927 -1.033 . . . . 1.75 109.05 175.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.541 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 17.9 tt -151.07 126.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.522 -0.471 . . . . 1.27 111.734 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -117.24 78.55 1.23 Allowed 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.826 -1.176 . . . . 1.88 107.826 165.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.6 m -149.85 89.65 1.63 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.176 -0.92 . . . . 1.57 110.128 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -90.2 87.39 6.83 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 118.055 -1.458 . . . . 3.28 110.731 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.58 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 7.4 t70 -120.66 135.32 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.331 -1.304 . . . . 1.57 108.204 162.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -56.31 -56.82 16.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 118.771 0.714 . . . . 3.5 112.048 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -72.69 -34.45 67.17 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.084 -0.246 . . . . 3.83 111.476 -174.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 41.1 tp -57.62 -50.41 73.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.673 0.273 . . . . 2.15 110.553 176.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.72 -39.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 1.31 110.667 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 8.5 mm-40 -57.78 -58.01 10.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 2.15 110.427 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 59.8 mm-40 -59.6 -44.49 93.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.884 -0.598 . . . . 2.05 111.488 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.38 85.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 1.19 111.175 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 39' ' ' ARG . 15.0 ttt180 -66.49 -50.69 62.43 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 120.566 -0.454 . . . . 3.54 110.251 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 95.5 mttt -53.59 -39.8 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 2.36 111.287 -176.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.4 tpt -67.26 -53.84 26.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.861 -0.609 . . . . 2.32 110.936 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -72.99 -27.05 61.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 1.25 111.767 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.2 -46.04 78.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.193 0.521 . . . . 2.41 110.098 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -78.16 -16.81 57.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.788 -0.642 . . . . 4.01 110.425 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.41 -2.51 57.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.87 -0.605 . . . . 1.25 109.97 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.3 t30 60.7 34.19 20.05 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.027 -0.988 . . . . 2.78 111.355 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.402 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 19.9 mt -86.89 155.17 20.35 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.078 -0.712 . . . . 1.32 109.078 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.483 HD12 ' CE2' ' A' ' 24' ' ' PHE . 50.0 mt -90.27 92.02 3.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.452 0.644 . . . . 1.3 109.902 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 48.8 tp -92.33 116.61 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.028 -0.987 . . . . 1.77 110.479 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.491 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 51.3 mt -108.97 106.89 21.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.065 0.46 . . . . 1.59 109.786 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.3 p -87.78 112.38 22.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.856 -0.611 . . . . 1.72 111.03 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.449 HG22 ' HA ' ' A' ' 58' ' ' LEU . 35.7 m -125.94 166.96 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.446 -0.576 . . . . 1.96 109.446 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -136.97 95.35 0.23 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.81 -1.186 . . . . 1.24 112.521 174.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 30.9 t70 154.89 150.12 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.324 1.45 . . . . 1.98 108.1 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.41 -38.37 81.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.124 0.488 . . . . 2.21 110.267 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 7.3 mm-40 -72.28 -40.55 67.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.102 -0.499 . . . . 2.04 110.051 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.14 -31.6 72.1 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.185 -0.461 . . . . 2.16 111.11 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.449 ' HA ' HG22 ' A' ' 52' ' ' VAL . 45.8 tp -60.58 -40.77 92.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 1.39 110.11 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -67.94 -19.68 64.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.898 -0.592 . . . . 2.76 111.05 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 6.3 mmpt? -86.86 -33.48 19.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.717 -0.674 . . . . 2.81 109.754 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.74 -43.71 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.634 -0.712 . . . . 1.17 109.674 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.9 mt -57.68 -44.02 84.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.311 -0.859 . . . . 1.48 110.458 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -61.76 -42.93 99.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 3.28 110.725 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' HG13 ' A' ' 68' ' ' ILE . 38.4 ttmt -62.22 -38.87 90.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 2.74 110.051 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.05 99.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 1.12 110.421 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 24.4 t70 -59.58 -44.95 93.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.826 -0.625 . . . . 1.36 110.461 176.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -62.54 -48.25 80.34 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.053 -0.522 . . . . 1.68 111.524 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 64' ' ' LYS . 81.7 mt -62.68 -44.24 99.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 120.857 0.361 . . . . 1.27 110.717 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.515 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -64.66 -42.73 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 1.18 110.81 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.581 ' NZ ' ' HB2' ' A' ' 100' ' ' ASP . 9.1 tppt? -54.75 -36.08 64.43 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.502 -0.772 . . . . 2.02 111.95 -174.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.492 ' HZ3' ' HB2' ' A' ' 71' ' ' LYS . 3.5 ttmp? . . . . . 0 N--CA 1.445 -0.715 0 CA-C-N 115.75 -0.659 . . . . 3.27 110.571 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 109.315 -0.624 . . . . 1.35 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.606 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 54.2 mtmt -126.33 137.7 53.51 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.908 -0.405 . . . . 2.24 109.908 177.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.44 ' HB ' HG23 ' A' ' 103' ' ' VAL . 53.3 mt -130.38 142.76 42.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.739 -0.664 . . . . 1.23 109.919 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.511 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 21.6 tp -113.88 136.1 53.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.09 -0.707 . . . . 1.98 109.09 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.4 mt -120.31 109.61 26.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.868 -0.419 . . . . 1.2 109.868 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 71.1 mt -93.67 104.77 16.85 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.486 -0.561 . . . . 2.19 109.486 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.641 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.5 pt? -128.26 156.43 43.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 120.626 0.251 . . . . 1.82 110.485 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -99.33 98.32 9.28 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.437 -1.32 . . . . 2.04 107.437 169.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -175.16 140.29 0.63 Allowed Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.808 -1.087 . . . . 2.58 108.368 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.8 118.63 5.56 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 121.656 1.57 . . . . 1.08 110.722 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.1 m -110.98 129.8 65.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.226 0.536 . . . . 1.8 111.712 -175.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 m -101.1 157.27 33.97 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.786 -0.643 . . . . 1.62 110.495 176.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.403 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 80.6 Cg_exo -47.17 -51.41 9.46 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.9 2.4 . . . . 1.38 112.994 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.71 -36.82 77.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.497 -0.32 . . . . 2.43 111.04 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -62.97 -39.14 93.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 4.04 110.108 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.38 -45.09 92.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.8 -0.636 . . . . 1.46 110.789 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 67.5 mmtt -73.18 -22.23 60.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 3.58 110.779 -174.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -64.42 -46.51 82.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.968 0.413 . . . . 2.86 110.1 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.77 -32.68 62.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.028 -0.533 . . . . 1.77 110.274 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 24.2 tm0? -65.31 -36.5 84.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.666 . . . . 2.77 110.52 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HZ1' ' HB3' ' A' ' 97' ' ' LYS . 4.0 mmmp? -81.35 -9.52 59.73 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.889 -0.324 . . . . 3.34 111.813 177.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -78.4 -51.35 10.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 3.82 109.871 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.56 129.89 54.93 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.739 -0.837 . . . . 1.19 108.739 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.581 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 8.3 m-20 -75.73 99.5 4.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.018 0.913 . . . . 1.77 109.547 -173.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.09 179.0 1.35 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.204 -1.816 . . . . 1.2 107.766 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.491 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 68.8 mm-40 -103.91 94.81 5.61 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.268 -0.641 . . . . 1.77 109.268 171.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.44 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.5 p -92.19 139.96 17.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.364 0.602 . . . . 1.66 110.323 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.423 ' O ' HD13 ' A' ' 80' ' ' LEU . 70.1 mtt180 -115.8 110.76 19.51 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.341 -0.845 . . . . 3.21 108.781 174.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m -81.03 133.14 29.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.025 -0.731 . . . . 1.33 109.025 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.91 121.42 21.68 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 121.04 -0.264 . . . . 3.2 111.278 -172.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.641 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 9.3 t -83.4 129.8 35.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.529 -0.545 . . . . 1.25 109.529 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.3 m -116.47 156.09 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.185 0.516 . . . . 1.93 111.384 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.3 p -125.21 -63.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.446 -0.797 . . . . 1.68 110.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.6 m -113.28 153.46 45.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.439 -0.346 . . . . 1.09 111.077 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.519 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 86.1 Cg_exo -43.36 -52.01 5.39 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.398 2.732 . . . . 0.7 113.806 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.07 -32.35 70.85 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.471 -0.331 . . . . 2.04 111.82 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.67 -44.47 86.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 2.21 110.011 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.33 -40.92 97.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.821 -0.627 . . . . 1.27 110.772 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 111' ' ' PRO . 50.1 mtpt -64.27 -34.19 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 1.97 110.497 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.421 ' HD2' ' CZ3' ' A' ' 117' ' ' TRP . 10.7 ttm180 -64.75 -42.14 95.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 4.92 110.239 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CZ3' ' HD2' ' A' ' 116' ' ' ARG . 6.1 m95 -68.9 -34.83 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.842 -0.617 . . . . 1.18 110.748 -178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 114' ' ' ALA . 74.6 mt -63.46 -40.1 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.849 -0.426 . . . . 1.21 109.849 175.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -63.76 -41.82 97.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 3.07 110.65 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.11 -19.35 63.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.315 0.579 . . . . 2.48 110.708 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -91.22 -50.68 5.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.553 -0.749 . . . . 2.33 111.67 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 m -84.43 -20.28 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.74 0.305 . . . . 1.88 111.607 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 121.301 0.572 . . . . 2.53 110.527 -174.342 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.628 0.252 . . . . 2.65 110.336 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -97.38 136.24 38.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.843 -0.428 . . . . 1.23 109.843 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.42 124.96 46.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.056 0.455 . . . . 1.11 110.527 -177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -113.02 151.22 30.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.966 -0.561 . . . . 2.21 110.343 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 49' ' ' LEU . 3.9 p -133.86 113.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.795 0.807 . . . . 1.71 110.857 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.65 151.32 20.23 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.945 -1.025 . . . . 1.75 108.445 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.757 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 17.0 tt -151.68 119.85 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.026 -0.67 . . . . 1.27 112.754 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mp -105.63 76.78 1.22 Allowed 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 108.824 -0.806 . . . . 1.88 108.824 166.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.7 m -149.45 88.69 1.58 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.005 -0.998 . . . . 1.57 108.826 175.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -94.61 90.54 6.18 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 118.43 -1.308 . . . . 3.28 110.834 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 12.6 t70 -118.31 136.49 53.67 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.691 -1.226 . . . . 1.57 107.691 160.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.573 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 14.3 mmmm -55.97 -55.66 30.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 118.597 0.635 . . . . 3.5 111.681 -174.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.554 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -73.38 -32.49 64.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.435 -0.348 . . . . 3.83 110.86 -174.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -58.18 -53.44 58.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.501 -0.555 . . . . 2.15 109.501 175.442 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.6 -33.95 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.124 0.488 . . . . 1.31 110.593 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 46.3 mt-10 -67.97 -51.68 44.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.764 -0.653 . . . . 2.15 110.127 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 57.5 mm-40 -60.42 -40.83 92.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.847 -0.615 . . . . 2.05 110.96 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.39 93.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.793 -0.64 . . . . 1.19 110.707 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -67.25 -36.85 82.46 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.475 -0.329 . . . . 3.54 110.863 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.564 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 99.7 mttt -53.85 -40.53 66.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.529 . . . . 2.36 110.39 177.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.6 mmm -75.63 -54.2 7.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.621 -0.718 . . . . 2.32 110.702 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.24 86.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.638 0.607 . . . . 1.25 112.638 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -46.67 87.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.835 -0.802 . . . . 2.41 108.835 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.07 -29.41 68.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.528 -0.76 . . . . 4.01 110.831 176.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.43 1.66 40.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.039 -0.528 . . . . 1.25 112.03 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.09 40.01 12.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.96 0.886 . . . . 2.78 110.203 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.406 HD12 HG23 ' A' ' 118' ' ' ILE . 65.9 mt -107.31 136.0 47.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.764 -0.653 . . . . 1.32 110.126 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.9 mt -78.38 104.32 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.74 -0.467 . . . . 1.3 109.74 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HA ' HG12 ' A' ' 25' ' ' VAL . 52.7 tp -84.15 121.61 27.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 1.77 110.752 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.4 mt -118.47 102.19 12.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.066 0.46 . . . . 1.59 110.067 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -85.04 110.68 19.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.041 -0.527 . . . . 1.72 111.299 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 61' ' ' ALA . 15.3 m -132.6 145.13 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.755 -0.657 . . . . 1.96 109.652 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.45 95.79 0.45 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 119.72 -1.228 . . . . 1.24 112.654 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.487 ' OD1' ' HB2' ' A' ' 56' ' ' GLU . 21.8 t70 151.1 152.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.398 1.479 . . . . 1.98 108.858 175.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.29 -43.24 95.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.984 0.421 . . . . 2.21 110.948 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.487 ' HB2' ' OD1' ' A' ' 54' ' ' ASP . 24.4 mm-40 -67.4 -39.78 85.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.035 -0.53 . . . . 2.04 110.07 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' HB3' ' A' ' 54' ' ' ASP . 49.7 mm-40 -64.98 -32.77 74.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 2.16 110.838 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.48 ' O ' HG13 ' A' ' 62' ' ' ILE . 60.9 tp -60.0 -43.23 95.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.378 -0.601 . . . . 1.39 109.378 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -62.64 -22.99 66.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.821 -0.627 . . . . 2.76 111.758 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 8.4 mmpt? -84.2 -36.01 23.09 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.126 -0.488 . . . . 2.81 110.195 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB2' HG12 ' A' ' 52' ' ' VAL . . . -70.64 -39.26 73.76 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.585 -0.524 . . . . 1.17 109.585 174.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 58' ' ' LEU . 87.0 mt -59.33 -50.69 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.26 -0.882 . . . . 1.48 110.607 176.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -65.11 -34.73 79.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 3.28 110.742 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 68' ' ' ILE . 89.1 tttt -66.06 -45.76 80.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 2.74 110.217 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.8 84.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 1.12 110.587 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.529 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 14.1 t70 -58.91 -39.08 80.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.702 -0.681 . . . . 1.36 110.784 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 30.7 t70 -67.33 -48.82 66.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.582 . . . . 1.68 111.039 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 64' ' ' LYS . 75.3 mt -65.0 -32.5 58.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.239 -0.437 . . . . 1.27 110.547 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -52.2 50.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 1.18 111.193 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 68.1 mttm -59.79 -27.48 66.6 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 112.468 0.544 . . . . 2.02 112.468 -175.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 67.7 mttm . . . . . 0 C--N 1.318 -0.765 0 CA-C-O 121.095 0.474 . . . . 3.27 110.026 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 110.232 -0.284 . . . . 1.35 110.232 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.458 ' HG2' ' HB2' ' A' ' 102' ' ' GLU . 35.9 mtmm -118.95 143.54 46.97 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.805 -0.442 . . . . 2.24 109.805 176.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.451 ' HB ' HG22 ' A' ' 103' ' ' VAL . 74.7 mt -130.98 142.41 43.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.22 -0.446 . . . . 1.23 110.111 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -108.65 123.36 48.85 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.77 -0.826 . . . . 1.98 108.77 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.0 mt -110.41 99.89 9.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.062 0.458 . . . . 1.2 110.022 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.757 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -93.17 136.37 33.5 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.275 -1.009 . . . . 2.19 108.275 178.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -163.22 164.33 25.13 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.035 0.445 . . . . 1.82 111.683 -178.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -93.76 101.37 13.48 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.542 -1.281 . . . . 2.04 107.542 167.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HB3' HD11 ' A' ' 83' ' ' LEU . 51.9 tttp -174.42 145.07 0.97 Allowed Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.07 -0.345 . . . . 2.58 110.07 -177.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.02 118.52 5.59 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.867 1.712 . . . . 1.08 110.157 166.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.1 m -111.44 130.71 64.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.281 0.562 . . . . 1.8 111.529 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 m -100.24 154.85 36.99 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 1.62 110.279 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 81.9 Cg_exo -47.56 -51.36 9.79 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.733 2.289 . . . . 1.38 112.796 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.49 -36.05 75.29 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.335 -0.393 . . . . 2.43 111.013 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.18 -38.94 93.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 4.04 110.543 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HB2' HG23 ' A' ' 105' ' ' VAL . 31.4 tt0 -66.3 -45.74 79.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.521 . . . . 1.46 110.29 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 28.9 mmmt -73.32 -17.86 61.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 3.58 110.182 -178.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -71.48 -45.82 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.812 -0.631 . . . . 2.86 109.969 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.16 -30.67 60.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.629 -0.714 . . . . 1.77 109.589 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -33.15 75.15 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.381 -0.827 . . . . 2.77 109.306 174.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -79.85 -28.1 40.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.222 -0.445 . . . . 3.34 110.72 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -70.06 -39.61 75.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 3.82 111.039 -177.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.473 ' HB2' ' HB2' ' A' ' 66' ' ' ASP . . . -119.99 138.43 53.49 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.359 -0.608 . . . . 1.19 109.359 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -77.94 96.92 5.15 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 118.827 -1.149 . . . . 1.77 108.287 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.08 149.92 0.93 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.56 -1.2 . . . . 1.2 108.945 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.458 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 63.4 mm-40 -81.05 89.58 5.95 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.031 -0.729 . . . . 1.77 109.031 173.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.451 HG22 ' HB ' ' A' ' 79' ' ' ILE . 3.5 p -90.67 144.93 8.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.708 -0.678 . . . . 1.66 110.463 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 106' ' ' ARG . 17.5 ptp180 -121.39 115.5 23.02 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.129 -0.941 . . . . 3.21 109.005 173.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.408 HG23 ' HB2' ' A' ' 92' ' ' GLU . 14.4 m -91.48 125.69 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 109.007 -0.738 . . . . 1.33 109.007 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 104' ' ' ARG . 78.6 mmt-85 -127.98 143.16 51.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.449 . . . . 3.2 111.045 -174.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.1 t -119.56 139.12 52.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.6 -0.727 . . . . 1.25 109.93 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 m -125.38 167.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.01 0.433 . . . . 1.93 111.04 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.2 p -123.53 0.36 8.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.796 -0.638 . . . . 1.68 110.062 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.1 p -165.48 153.74 10.23 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 115.835 -0.621 . . . . 1.09 111.038 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -47.21 -49.75 12.32 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.333 2.689 . . . . 0.7 114.554 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.537 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 27.3 t70 -62.29 -30.22 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.677 0.621 . . . . 2.04 112.677 -169.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.0 -42.32 98.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.798 0.332 . . . . 2.21 110.579 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.9 86.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 1.27 110.391 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.537 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 8.9 mtpm? -60.87 -36.48 79.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.599 -0.728 . . . . 1.97 110.53 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -66.83 -53.06 36.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.636 . . . . 4.92 110.832 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -56.87 -39.02 73.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.897 -0.592 . . . . 1.18 111.1 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 47' ' ' LEU . 82.4 mt -61.67 -45.35 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 1.21 111.1 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -67.47 -45.26 76.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.556 -0.293 . . . . 3.07 110.978 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -64.67 -27.11 68.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.943 0.401 . . . . 2.48 111.296 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -80.7 -47.87 13.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 2.33 111.197 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 p -66.09 -32.64 74.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.319 -0.4 . . . . 1.88 110.88 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 121.164 0.507 . . . . 2.53 110.789 176.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.4 ' N ' ' SD ' ' A' ' 21' ' ' MET . 1.7 pmm? . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.883 -0.414 . . . . 2.65 109.883 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 m -76.7 123.52 26.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.75 0.31 . . . . 1.23 110.6 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 mt -104.65 128.05 52.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.459 . . . . 1.11 110.631 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -117.81 147.45 43.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.112 -0.494 . . . . 2.21 110.063 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 49' ' ' LEU . 3.7 p -134.6 130.4 53.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.893 0.854 . . . . 1.71 110.79 172.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 58' ' ' LEU . 11.0 mp -115.23 159.11 21.37 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.477 -1.238 . . . . 1.75 109.051 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 13.3 tt -150.76 124.68 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 121.021 -0.271 . . . . 1.27 110.35 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 54' ' ' ASP . 5.7 tp -108.47 76.69 1.04 Allowed 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.318 -0.993 . . . . 1.88 108.318 173.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -150.95 145.66 25.74 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.375 -1.284 . . . . 1.57 108.602 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -126.39 88.19 2.79 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.433 -1.307 . . . . 3.28 110.811 168.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -119.34 129.5 54.88 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.627 -1.249 . . . . 1.57 107.627 160.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -66.21 -28.43 68.73 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 111.988 0.366 . . . . 3.5 111.988 -172.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -90.49 -35.81 14.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.871 0.367 . . . . 3.83 110.722 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.17 -46.3 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 2.15 110.03 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.36 -39.98 71.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.145 -0.48 . . . . 1.31 110.529 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 27.0 mm-40 -55.35 -62.1 1.9 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.239 -0.437 . . . . 2.15 110.939 174.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 38.2 mm-40 -57.95 -38.78 76.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 2.05 112.015 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.46 98.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 1.19 110.358 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 41.4 ttm180 -72.49 -27.43 62.26 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.787 -0.365 . . . . 3.54 110.627 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 69.7 mmtt -57.14 -40.93 78.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.198 0.523 . . . . 2.36 109.929 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.4 mmt -78.58 -48.5 15.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.629 -0.714 . . . . 2.32 111.068 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.26 77.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.002 0.371 . . . . 1.25 112.002 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.609 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -61.71 -51.51 68.11 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.243 -0.651 . . . . 2.41 109.243 178.659 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 1.4 mptm? -71.59 -24.05 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.723 -0.671 . . . . 4.01 111.078 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.79 -5.46 58.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.963 0.411 . . . . 1.25 110.743 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.2 m120 62.68 31.8 16.52 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.274 -0.875 . . . . 2.78 111.026 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.3 mt -86.66 138.34 31.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.78 -0.645 . . . . 1.32 109.886 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.7 mt -74.36 97.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.375 -0.602 . . . . 1.3 109.375 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.403 ' HA ' HG12 ' A' ' 25' ' ' VAL . 58.0 tp -86.18 125.14 33.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.702 -0.681 . . . . 1.77 110.891 -177.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mt -118.61 99.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.282 -0.636 . . . . 1.59 109.282 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 m -84.83 120.26 26.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.964 -0.562 . . . . 1.72 110.516 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.7 m -135.73 164.97 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.748 -0.205 . . . . 1.96 110.707 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -148.82 96.67 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.242 -0.98 . . . . 1.24 112.572 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.512 ' O ' HD13 ' A' ' 28' ' ' LEU . 19.9 t70 143.22 153.87 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.673 1.589 . . . . 1.98 108.321 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -62.78 -44.95 94.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.891 0.376 . . . . 2.21 110.879 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 75.7 mm-40 -70.14 -28.89 65.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.028 -0.533 . . . . 2.04 109.982 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -71.16 -33.78 70.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.53 . . . . 2.16 110.679 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.422 ' CD1' HD21 ' A' ' 26' ' ' LEU . 35.9 tp -65.91 -30.55 71.16 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.383 -0.599 . . . . 1.39 109.383 174.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.22 -18.82 64.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.365 0.602 . . . . 2.76 111.126 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 26.1 mmtp -84.37 -33.86 23.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.574 -0.739 . . . . 2.81 109.594 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.78 -43.51 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.789 . . . . 1.17 110.702 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.02 -50.1 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 1.48 110.745 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -65.93 -30.54 71.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.46 -0.336 . . . . 3.28 110.455 179.664 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HZ2' ' HB2' ' A' ' 64' ' ' LYS . 4.2 ttmp? -67.8 -50.77 55.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 2.74 110.243 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.0 93.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 1.12 110.472 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.34 -46.67 76.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.661 -0.7 . . . . 1.36 110.809 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.06 -48.47 68.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.709 -0.678 . . . . 1.68 111.456 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 76.6 mt -61.99 -38.07 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.034 0.445 . . . . 1.27 110.682 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.54 -57.2 10.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 1.18 110.711 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -63.88 -24.88 67.91 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.234 -0.439 . . . . 2.02 111.415 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 68' ' ' ILE . 59.0 tttm . . . . . 0 N--CA 1.444 -0.726 0 N-CA-C 109.355 -0.609 . . . . 3.27 109.355 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 121.037 0.446 . . . . 1.35 110.34 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . 43.4 mttp -98.42 122.6 41.81 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.109 -0.496 . . . . 2.24 110.189 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 49.0 mt -124.98 134.46 66.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.991 -0.55 . . . . 1.23 109.932 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.0 tp -113.25 112.32 23.53 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.959 -0.385 . . . . 1.98 109.959 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 81.2 mt -101.0 112.78 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.743 -0.383 . . . . 1.2 110.076 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 91.9 mt -93.15 112.07 23.9 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.879 -0.415 . . . . 2.19 109.879 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.718 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.6 pt? -138.55 139.59 38.74 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.353 -0.24 . . . . 1.82 110.353 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 7.2 pt-20 -86.32 99.62 11.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 118.916 -1.114 . . . . 2.04 108.678 170.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 89.2 mttt -170.18 146.03 2.45 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 114.104 -1.407 . . . . 2.58 108.333 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.21 118.62 5.79 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.854 1.703 . . . . 1.08 110.741 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.5 m -114.71 135.32 54.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.284 0.564 . . . . 1.8 111.904 -172.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 m -101.06 157.53 33.49 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.604 -0.726 . . . . 1.62 110.012 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -49.18 -46.55 25.29 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.488 2.125 . . . . 1.38 112.369 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 42.8 tt0 -62.19 -35.23 78.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.029 -0.532 . . . . 2.43 110.973 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.93 -40.49 95.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.964 -0.384 . . . . 4.04 109.964 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.26 -45.32 93.7 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.965 -0.561 . . . . 1.46 110.184 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -71.84 -18.14 62.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.629 -0.714 . . . . 3.58 111.773 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 30.4 mtpp -76.47 -43.32 40.28 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.976 -0.379 . . . . 2.86 109.976 174.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.16 -35.03 68.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.37 0.605 . . . . 1.77 109.522 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -70.17 -17.19 63.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.027 -0.988 . . . . 2.77 109.66 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.7 -40.82 24.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 3.34 110.523 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -64.76 -42.21 95.32 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.198 -0.456 . . . . 3.82 110.679 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.08 119.37 36.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.534 -0.543 . . . . 1.19 109.534 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -72.1 103.09 3.18 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.758 0.79 . . . . 1.77 108.894 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 77' ' ' ALA . . . -172.59 -167.95 0.48 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.085 -1.416 . . . . 1.2 109.303 -172.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -124.63 88.03 2.82 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.668 0.746 . . . . 1.77 109.049 172.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 7.4 p -89.85 138.29 19.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.255 -0.884 . . . . 1.66 110.445 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -104.84 100.46 10.08 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.893 -0.78 . . . . 3.21 108.893 173.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.38 124.12 32.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 119.798 -0.761 . . . . 1.33 109.21 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -125.06 135.07 52.37 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.29 -0.414 . . . . 3.2 110.964 -174.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.718 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 8.9 t -84.48 126.46 33.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.299 0.571 . . . . 1.25 110.332 177.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.569 ' O ' ' HB3' ' A' ' 84' ' ' GLU . 4.9 p -124.44 116.82 48.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.291 0.567 . . . . 1.93 111.562 -177.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.5 t -126.12 6.87 7.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.265 0.555 . . . . 1.68 110.235 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.7 m -154.2 135.13 8.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 1.09 110.031 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.66 -38.24 84.27 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.512 2.808 . . . . 0.7 113.479 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.412 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 38.5 m-20 -70.04 -40.72 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.642 0.258 . . . . 2.04 110.946 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -62.61 -40.39 96.8 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.787 -0.449 . . . . 2.21 109.787 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -58.24 -48.07 81.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.838 -0.619 . . . . 1.27 110.667 177.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.412 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 57.3 mtmt -61.64 -32.44 72.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 1.97 110.93 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.435 ' HD3' ' C ' ' A' ' 116' ' ' ARG . 1.9 tmt_? -68.32 -43.7 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 4.92 109.882 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -61.96 -44.02 97.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 1.18 110.745 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 114' ' ' ALA . 93.0 mt -61.5 -41.92 91.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.761 -0.654 . . . . 1.21 111.106 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -63.88 -43.17 96.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.486 -0.325 . . . . 3.07 110.356 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -60.81 -43.41 98.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.141 0.496 . . . . 2.48 110.82 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 78' ' ' LYS . 77.6 t80 -67.25 -44.57 79.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.581 -0.736 . . . . 2.33 111.53 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.0 m -71.03 -39.51 72.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.056 -0.52 . . . . 1.88 110.493 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.742 -0.663 . . . . 2.53 110.238 -178.712 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.861 -0.422 . . . . 2.65 109.861 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.594 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -64.78 121.95 15.76 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.814 -0.354 . . . . 1.23 110.422 177.448 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 63.5 mt -111.41 105.6 14.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.3 0.572 . . . . 1.11 110.882 -176.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.594 ' CE1' ' HB ' ' A' ' 22' ' ' THR . 58.3 m-85 -103.99 143.97 32.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.657 -0.701 . . . . 2.21 109.608 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.402 HG11 ' HA ' ' A' ' 49' ' ' LEU . 2.7 p -131.57 116.58 32.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.657 0.742 . . . . 1.71 110.531 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mp -102.92 156.92 17.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.945 -1.025 . . . . 1.75 108.424 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.8 tt -150.25 124.28 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 121.019 -0.272 . . . . 1.27 111.192 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -114.67 79.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.982 -0.747 . . . . 1.88 108.982 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 t -149.56 144.05 25.98 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.903 -1.044 . . . . 1.57 108.483 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -124.86 88.17 2.84 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.576 -1.249 . . . . 3.28 110.773 168.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.481 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 28.5 t70 -119.36 137.39 53.75 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.876 -1.056 . . . . 1.57 108.246 162.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.57 -35.33 80.14 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 111.859 0.318 . . . . 3.5 111.859 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -85.52 -44.01 13.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.682 0.277 . . . . 3.83 110.635 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 6.3 tt -55.65 -48.51 74.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.948 -0.569 . . . . 2.15 110.434 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.58 -42.62 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 1.31 110.869 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 43.7 mm-40 -61.37 -56.89 15.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 2.15 111.123 176.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 43.3 mm-40 -59.94 -38.17 81.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.234 -0.439 . . . . 2.05 111.53 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.95 87.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.38 . . . . 1.19 110.744 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 15.0 ttm-85 -62.42 -45.07 94.78 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.378 -0.374 . . . . 3.54 110.659 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 98.1 mttt -53.17 -36.13 60.57 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.367 0.417 . . . . 2.36 111.698 -175.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 96.5 mmm -70.1 -53.32 17.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.528 -0.305 . . . . 2.32 110.964 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.58 64.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.706 0.289 . . . . 1.25 111.237 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -63.18 -53.48 52.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.733 -0.839 . . . . 2.41 108.733 177.08 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.527 ' HD3' ' O ' ' A' ' 44' ' ' LYS . 7.8 tmtm? -66.26 -37.52 85.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.956 -1.02 . . . . 4.01 109.946 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.97 -8.37 56.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 1.25 111.937 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.9 m120 61.91 43.84 8.89 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.693 -0.685 . . . . 2.78 111.497 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.8 mt -95.11 -179.32 4.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.946 -0.57 . . . . 1.32 109.929 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.8 mt -106.85 96.04 4.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.635 -0.506 . . . . 1.3 109.635 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' HA ' HG11 ' A' ' 25' ' ' VAL . 51.4 tp -93.63 123.81 37.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.751 -0.659 . . . . 1.77 110.935 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.7 102.55 14.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.298 -0.631 . . . . 1.59 109.298 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -77.05 99.74 5.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.27 0.557 . . . . 1.72 110.871 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.43 -170.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.683 . . . . 1.96 110.833 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 54' ' ' ASP . . . -159.56 103.98 0.24 Allowed Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.948 -0.644 . . . . 1.24 112.111 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' HB3' ' O ' ' A' ' 53' ' ' GLY . 24.5 t70 100.22 156.41 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.097 1.359 . . . . 1.98 110.815 174.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 42.6 mt-10 -56.72 -34.86 67.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.714 0.292 . . . . 2.21 111.656 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.92 -39.71 79.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.878 0.37 . . . . 2.04 110.55 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -67.75 -30.77 70.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 2.16 110.075 175.295 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.95 -41.54 96.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.557 -0.747 . . . . 1.39 110.417 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 33.9 mtmt -55.69 -37.79 68.79 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.767 0.794 . . . . 2.76 110.893 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 22.0 mtpp -76.75 -42.96 39.05 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.434 -1.257 . . . . 2.81 110.987 -176.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.31 86.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.147 0.499 . . . . 1.17 109.879 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.406 HG23 ' HB1' ' A' ' 99' ' ' ALA . 20.3 mt -56.36 -49.74 75.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.083 -0.962 . . . . 1.48 111.634 177.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -67.55 -38.51 84.24 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.958 -0.297 . . . . 3.28 110.645 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 55.4 mtmt -64.76 -38.0 89.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.785 0.326 . . . . 2.74 110.588 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.52 69.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.005 0.431 . . . . 1.12 110.48 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -33.0 72.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.575 -0.739 . . . . 1.36 111.019 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.534 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 6.7 m-20 -67.06 -60.29 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.424 -0.353 . . . . 1.68 111.091 174.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.36 -37.83 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.22 -0.445 . . . . 1.27 111.345 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.425 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -55.58 -48.56 74.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.297 0.57 . . . . 1.18 111.355 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -86.32 -10.33 54.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.293 -0.867 . . . . 2.02 112.356 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 68.3 mttm . . . . . 0 C--N 1.315 -0.933 0 N-CA-C 109.414 -0.587 . . . . 3.27 109.414 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.739 0.304 . . . . 1.35 110.619 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -126.43 136.44 52.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.237 -0.438 . . . . 2.24 110.102 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -122.09 120.62 61.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.989 -0.55 . . . . 1.23 110.197 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -95.56 124.59 39.67 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.627 -0.879 . . . . 1.98 108.627 175.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.459 ' HB ' HG13 ' A' ' 105' ' ' VAL . 72.9 mt -116.09 101.26 11.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 120.937 0.399 . . . . 1.2 110.319 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 8.7 mp -81.57 128.14 33.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.997 -0.547 . . . . 2.19 109.827 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.2 pt? -152.59 149.78 28.82 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 110.04 -0.356 . . . . 1.82 110.04 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -104.48 101.08 10.76 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 121.987 0.899 . . . . 2.04 110.012 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -172.5 165.23 3.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 114.342 -1.299 . . . . 2.58 108.669 172.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.28 123.52 10.66 Favored 'Trans proline' 0 CA--C 1.516 -0.401 0 C-N-CA 122.319 2.013 . . . . 1.08 111.773 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.3 t -132.47 119.03 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.593 -0.731 . . . . 1.8 111.27 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 p -99.89 166.36 12.92 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.434 -0.58 . . . . 1.62 109.434 173.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -46.64 -41.54 24.12 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.667 2.245 . . . . 1.38 113.322 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 31.7 tt0 -56.86 -36.07 69.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.345 -0.389 . . . . 2.43 111.078 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -69.9 -41.23 74.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.427 -0.351 . . . . 4.04 111.275 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.05 -35.52 71.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.332 0.587 . . . . 1.46 110.189 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.556 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 60.9 tttp -69.24 -34.39 74.73 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.384 -0.826 . . . . 3.58 110.155 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 62.4 mttm -63.08 -42.67 99.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.136 0.493 . . . . 2.86 109.89 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.423 ' HB3' HG12 ' A' ' 103' ' ' VAL . 3.9 mm? -72.03 -36.23 69.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.823 -0.626 . . . . 1.77 110.739 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -64.11 -25.92 68.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.954 0.407 . . . . 2.77 110.086 172.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 61.7 mtpt -74.4 -40.5 61.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 3.34 111.556 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -71.86 -51.48 22.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.864 0.364 . . . . 3.82 111.049 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HB1' HG23 ' A' ' 62' ' ' ILE . . . -94.88 132.54 39.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.294 -0.412 . . . . 1.19 110.448 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -90.29 95.61 10.27 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 118.858 -1.137 . . . . 1.77 109.11 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.12 -177.81 0.62 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.385 -1.734 . . . . 1.2 107.67 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -87.78 91.49 8.77 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.667 -0.813 . . . . 1.77 109.417 170.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 95' ' ' LEU . 7.4 t -82.27 134.25 27.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.367 -0.833 . . . . 1.66 111.308 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.481 ' O ' HD23 ' A' ' 80' ' ' LEU . 57.5 mtm180 -127.16 105.11 8.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.609 -0.723 . . . . 3.21 109.274 172.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.459 HG13 ' HB ' ' A' ' 81' ' ' ILE . 27.6 m -88.55 111.11 22.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-O 121.588 0.708 . . . . 1.33 110.2 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.615 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 6.4 mmp_? -104.33 119.22 38.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.913 -0.585 . . . . 3.2 110.411 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 6.4 t -77.13 99.4 5.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.848 0.832 . . . . 1.25 109.948 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -94.41 145.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.71 -0.677 . . . . 1.93 110.605 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -127.85 -9.86 5.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.002 -0.545 . . . . 1.68 111.516 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -155.31 154.87 29.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 119.572 -0.252 . . . . 1.09 110.917 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.448 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 80.3 Cg_exo -45.78 -51.52 8.13 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.208 2.605 . . . . 0.7 113.344 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.94 -30.15 68.87 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.436 -0.347 . . . . 2.04 111.677 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -69.54 -41.26 76.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.916 0.388 . . . . 2.21 109.977 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.52 -46.19 91.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 1.27 110.505 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 46.6 mtpt -65.27 -30.73 71.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.584 -0.734 . . . . 1.97 110.923 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.438 ' NH2' ' HD3' ' A' ' 119' ' ' LYS . 6.6 tpm_? -60.65 -49.16 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 4.92 110.841 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -77.48 -38.06 49.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.968 -0.56 . . . . 1.18 111.651 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.12 -29.49 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.032 0.444 . . . . 1.21 110.657 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.438 ' HD3' ' NH2' ' A' ' 116' ' ' ARG . 63.5 tttp -67.73 -52.56 36.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 3.07 111.106 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -19.26 63.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 2.48 111.02 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 34.3 t80 -71.5 -35.57 70.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.138 -0.483 . . . . 2.33 110.592 177.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 p -96.25 -9.09 31.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.876 -0.602 . . . . 1.88 111.025 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.138 -0.483 . . . . 2.53 110.817 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.549 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 53.1 ttp . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.272 -0.27 . . . . 2.65 110.272 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 m -102.96 139.64 38.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.811 0.339 . . . . 1.23 110.211 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.6 mt -109.44 125.23 52.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.093 -0.503 . . . . 1.11 110.448 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 54.7 m-85 -115.81 147.51 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.194 -0.457 . . . . 2.21 110.461 -178.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 t -132.84 117.67 30.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.332 -0.395 . . . . 1.71 110.168 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.3 mm? -98.32 159.75 14.74 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.532 -1.285 . . . . 1.75 107.532 168.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.709 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 15.9 tt -150.32 122.95 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.07 -0.652 . . . . 1.27 111.828 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.413 HD11 HD12 ' A' ' 58' ' ' LEU . 2.5 mp -110.41 80.08 1.27 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.666 -0.864 . . . . 1.88 108.666 167.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.43 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 67.1 m -149.22 144.41 26.53 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.263 -1.335 . . . . 1.57 108.805 175.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -144.75 90.41 2.07 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 118.732 -1.187 . . . . 3.28 112.335 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.563 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 9.6 t70 -118.06 142.44 47.39 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.721 -1.585 . . . . 1.57 106.721 155.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.552 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 13.4 mptt -58.59 -46.74 86.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 119.116 0.871 . . . . 3.5 110.871 -175.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -70.11 -42.51 72.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 3.83 110.33 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.624 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 46.2 tp -52.0 -52.0 53.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.405 -0.816 . . . . 2.15 111.152 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.26 -35.5 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.908 -0.587 . . . . 1.31 110.93 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 49.1 mt-10 -61.38 -62.44 1.83 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.575 -0.284 . . . . 2.15 110.304 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HB3' ' HD3' ' A' ' 115' ' ' LYS . 44.7 mt-10 -57.97 -33.07 68.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 2.05 111.192 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.57 -55.64 14.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 1.19 110.957 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -65.75 -41.43 92.16 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.629 -0.428 . . . . 3.54 111.009 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 66.2 mttm -48.48 -40.26 25.87 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.211 0.319 . . . . 2.36 111.65 -177.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.544 ' SD ' ' HD3' ' A' ' 119' ' ' LYS . 16.8 mmt -70.32 -47.76 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.331 -0.395 . . . . 2.32 111.065 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . . . -71.22 -26.98 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.028 0.442 . . . . 1.25 110.908 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.71 -40.51 88.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.913 0.863 . . . . 2.41 109.032 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -78.63 -34.85 46.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.433 -1.258 . . . . 4.01 110.828 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB2' ' OG ' ' A' ' 122' ' ' SER . . . -83.5 -5.33 59.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.713 -0.676 . . . . 1.25 111.769 -176.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 61.42 46.79 7.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.514 -0.766 . . . . 2.78 111.296 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 35.0 mt -101.3 155.21 18.17 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.711 -0.478 . . . . 1.32 109.711 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.6 mt -86.45 89.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.483 0.658 . . . . 1.3 109.886 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.7 tp -95.15 120.91 36.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.016 -0.993 . . . . 1.77 110.271 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.9 mt -111.03 103.37 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.628 -0.508 . . . . 1.59 109.628 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.426 ' HA ' ' CG2' ' A' ' 27' ' ' ILE . 3.3 m -83.0 108.95 16.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 1.72 110.64 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.415 HG12 ' HB3' ' A' ' 61' ' ' ALA . 28.3 m -123.24 -177.38 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.388 -0.597 . . . . 1.96 109.388 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -163.09 93.26 0.11 Allowed Glycine 0 N--CA 1.44 -1.059 0 C-N-CA 120.122 -1.037 . . . . 1.24 111.972 171.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 32.5 t70 164.83 150.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 124.245 1.018 . . . . 1.98 108.592 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -65.14 -42.34 93.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.191 0.441 . . . . 2.21 112.191 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 28.8 mm-40 -80.86 -39.2 26.87 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.157 -0.474 . . . . 2.04 110.11 -176.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 54' ' ' ASP . 41.3 tt0 -59.89 -34.08 72.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 2.16 110.643 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.413 HD12 HD11 ' A' ' 28' ' ' LEU . 63.4 tp -59.54 -42.11 91.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 1.39 110.371 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -66.26 -20.06 66.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.604 . . . . 2.76 110.919 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 5.5 mmmm -86.58 -47.05 9.56 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.321 -0.854 . . . . 2.81 109.95 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HB3' HG12 ' A' ' 52' ' ' VAL . . . -62.29 -42.42 99.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.482 -0.781 . . . . 1.17 110.456 176.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.6 mt -58.4 -45.53 89.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.405 -0.816 . . . . 1.48 111.082 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -67.77 -32.29 72.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 3.28 110.414 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.601 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.7 tttp -61.39 -48.7 80.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 2.74 110.019 173.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.27 92.17 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.073 -0.512 . . . . 1.12 110.542 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -54.74 -49.46 70.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.315 -0.857 . . . . 1.36 110.505 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 29.7 t70 -63.6 -48.18 78.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.521 -0.763 . . . . 1.68 111.658 -178.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 64' ' ' LYS . 82.8 mt -53.3 -49.23 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.911 0.386 . . . . 1.27 111.526 -175.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.551 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -75.53 -48.7 21.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 1.18 111.663 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.03 -28.81 69.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.766 0.654 . . . . 2.02 112.766 -170.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 64.0 mtpt . . . . . 0 C--N 1.32 -0.691 0 C-N-CA 120.612 -0.435 . . . . 3.27 110.468 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.419 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.83 -0.433 . . . . 1.35 109.83 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.549 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 54.7 mtmt -124.66 136.79 54.21 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.894 -0.41 . . . . 2.24 109.894 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.1 mt -133.18 136.61 54.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.074 -0.512 . . . . 1.23 111.096 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.5 mt -105.87 142.2 35.99 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 109.9 -0.407 . . . . 1.98 109.9 171.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.59 97.72 6.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.2 -1.037 . . . . 1.2 108.2 163.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.709 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.2 tm? -75.77 111.02 10.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.865 -1.061 . . . . 2.19 108.834 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.8 158.13 43.91 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.84 -0.537 . . . . 1.82 111.959 -175.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.65 101.77 11.39 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.125 -1.065 . . . . 2.04 108.125 173.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -175.81 148.38 0.97 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.821 -1.081 . . . . 2.58 108.527 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -67.27 118.76 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.703 1.602 . . . . 1.08 110.68 170.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.43 138.94 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.146 0.498 . . . . 1.8 111.626 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -100.89 150.28 36.9 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.874 -0.603 . . . . 1.62 110.203 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.29 -45.57 33.18 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.399 2.066 . . . . 1.38 112.362 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -60.42 -40.57 91.49 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.183 -0.462 . . . . 2.43 110.232 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -60.81 -36.62 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 4.04 110.896 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.7 -32.76 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.08 0.467 . . . . 1.46 111.126 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -73.69 -21.94 60.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.379 -0.601 . . . . 3.58 109.379 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -68.1 -33.6 74.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.878 -0.601 . . . . 2.86 110.138 174.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.414 ' CB ' HG13 ' A' ' 103' ' ' VAL . 3.3 mm? -75.27 -33.84 61.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.941 -0.392 . . . . 1.77 109.941 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -66.09 -25.45 67.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.441 0.639 . . . . 2.77 109.51 171.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -76.15 -29.42 57.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 3.34 111.118 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -73.48 -50.53 21.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.851 0.358 . . . . 3.82 110.957 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.32 129.36 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.058 -0.519 . . . . 1.19 110.126 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -83.66 101.43 11.51 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.754 -0.832 . . . . 1.77 108.754 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -175.62 -169.62 0.36 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.148 -1.387 . . . . 1.2 107.278 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -97.33 88.98 4.58 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 119.56 -0.856 . . . . 1.77 108.919 171.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.414 HG13 ' CB ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -84.42 123.85 39.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.77 -1.105 . . . . 1.66 110.639 -178.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -120.61 108.79 14.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.462 -0.79 . . . . 3.21 109.087 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.1 133.85 28.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-O 120.987 0.422 . . . . 1.33 109.916 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.503 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 11.9 mmm180 -113.89 112.79 23.92 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.868 -0.333 . . . . 3.2 110.157 -175.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.3 t -84.14 134.78 34.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.119 -0.491 . . . . 1.25 109.961 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.44 157.01 42.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.208 0.527 . . . . 1.93 111.396 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.7 p -128.4 -13.06 4.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.355 -0.838 . . . . 1.68 110.37 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 56.4 m -153.72 148.25 19.4 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.014 -0.539 . . . . 1.09 110.22 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.624 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 74.9 Cg_exo -52.8 -29.59 43.39 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 124.389 3.393 . . . . 0.7 114.27 -173.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.487 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 6.2 m-20 -63.82 -42.82 97.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.442 -0.344 . . . . 2.04 111.309 -176.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 13.4 mm-40 -77.38 -30.29 53.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.441 -0.345 . . . . 2.21 110.163 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.27 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 1.27 110.587 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 64.5 pttt -67.92 -26.79 66.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.035 -0.53 . . . . 1.97 110.307 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 113' ' ' GLU . 72.9 ttt180 -60.42 -57.45 12.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.669 -0.696 . . . . 4.92 111.417 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.503 ' CD1' ' HB3' ' A' ' 106' ' ' ARG . 9.3 m95 -57.78 -38.56 75.66 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.449 -0.341 . . . . 1.18 111.194 -174.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.69 -42.63 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 1.21 111.643 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.544 ' HD3' ' SD ' ' A' ' 41' ' ' MET . 9.3 mtmp? -70.42 -42.74 71.2 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.97 -0.292 . . . . 3.07 111.169 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -67.9 -28.96 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.735 0.303 . . . . 2.48 110.669 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -74.97 -30.96 61.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.86 -0.609 . . . . 2.33 110.891 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.482 ' OG ' ' HB2' ' A' ' 45' ' ' ALA . 33.6 t -79.32 -38.51 35.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.978 -0.555 . . . . 1.88 110.386 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.182 -0.463 . . . . 2.53 110.321 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.22 -0.289 . . . . 2.65 110.22 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 m -89.12 138.92 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.987 -0.285 . . . . 1.23 110.27 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 58.2 mt -108.63 112.22 24.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.271 -0.422 . . . . 1.11 110.398 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' HB2' HG12 ' A' ' 79' ' ' ILE . 48.9 m-85 -105.88 148.75 27.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 2.21 109.532 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -137.19 132.84 46.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-O 121.635 0.731 . . . . 1.71 110.988 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mp -116.53 158.6 23.39 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.734 -1.121 . . . . 1.75 109.106 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.4 tt -150.54 111.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.466 -0.333 . . . . 1.27 110.233 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 54' ' ' ASP . 10.2 tp -98.88 78.31 2.29 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.828 0.823 . . . . 1.88 109.028 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -150.71 144.87 25.44 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.639 -1.164 . . . . 1.57 108.193 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.405 ' OD1' ' HA3' ' A' ' 53' ' ' GLY . 18.3 m120 -121.7 86.08 2.52 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 117.975 -1.49 . . . . 3.28 110.19 166.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.556 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 21.2 t70 -120.84 130.25 53.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.639 -1.164 . . . . 1.57 108.694 164.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 46.4 mttp -62.42 -29.64 70.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.604 0.594 . . . . 3.5 112.604 -176.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HZ1' ' HB3' ' A' ' 33' ' ' LYS . 8.2 ttpm? -84.53 -47.43 10.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.916 0.389 . . . . 3.83 110.66 -177.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 18.0 tp -57.72 -50.04 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 2.15 111.478 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.54 -39.86 80.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.363 -0.38 . . . . 1.31 111.327 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 47.8 mm-40 -58.4 -56.92 15.9 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.969 -0.292 . . . . 2.15 110.996 177.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -62.09 -40.62 96.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.766 0.317 . . . . 2.05 111.125 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.74 94.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 1.19 110.686 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -67.27 -48.8 66.63 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 120.509 -0.476 . . . . 3.54 110.875 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 94.8 mttt -48.93 -47.87 43.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.152 0.501 . . . . 2.36 110.955 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 tpt -62.28 -43.05 99.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.535 -0.757 . . . . 2.32 111.958 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.66 -29.73 23.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 1.25 111.502 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.46 -44.86 95.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.946 -0.57 . . . . 2.41 109.976 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -11.47 57.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.846 -0.615 . . . . 4.01 111.343 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.38 2.06 54.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.936 0.398 . . . . 1.25 110.538 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.6 40.18 20.49 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.287 -0.87 . . . . 2.78 110.759 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.8 mt -95.98 156.68 16.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.932 -0.576 . . . . 1.32 109.662 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.9 mt -90.29 92.82 4.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.338 0.589 . . . . 1.3 109.512 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.1 tp -91.25 128.88 37.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 1.77 110.762 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.76 98.91 6.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.234 -0.654 . . . . 1.59 109.234 175.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -80.17 119.83 23.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.029 -0.532 . . . . 1.72 110.455 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 3.4 m -135.38 140.26 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.325 -0.398 . . . . 1.96 110.536 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -129.54 95.38 0.36 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 119.76 -1.21 . . . . 1.24 112.392 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.564 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 17.1 t70 152.83 145.63 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.121 1.368 . . . . 1.98 108.42 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -49.52 66.31 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.05 0.452 . . . . 2.21 111.493 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 11.4 mm-40 -67.77 -33.83 75.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.839 -0.619 . . . . 2.04 110.712 -175.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 22.7 mm-40 -64.21 -30.84 71.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 2.16 111.732 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.9 tp -63.61 -39.06 93.4 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.479 -0.563 . . . . 1.39 109.479 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -60.48 -30.44 69.69 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.445 0.641 . . . . 2.76 110.616 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 6.1 mmmm -76.66 -44.93 31.85 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.953 -1.021 . . . . 2.81 110.458 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.95 96.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 1.17 110.217 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -58.06 -47.85 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.37 -0.832 . . . . 1.48 110.805 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -71.32 -32.34 68.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.484 -0.326 . . . . 3.28 111.075 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 68' ' ' ILE . 25.0 ttmm -64.17 -44.78 91.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 2.74 109.979 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.41 99.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 1.12 110.232 175.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.76 -40.96 69.9 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.407 -0.815 . . . . 1.36 110.901 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.55 -49.91 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 1.68 111.457 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 64' ' ' LYS . 77.0 mt -61.54 -39.14 81.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.788 0.327 . . . . 1.27 111.003 -177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.6 -58.08 10.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 1.18 110.821 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -63.89 -31.9 73.24 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.21 -0.45 . . . . 2.02 111.419 -177.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.3 tttp . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.908 -0.587 . . . . 3.27 110.264 177.177 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 109.999 -0.371 . . . . 1.35 109.999 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -118.94 122.1 41.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.991 0.424 . . . . 2.24 109.87 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 46.2 mt -119.31 140.3 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.847 -0.615 . . . . 1.23 110.362 -176.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.04 115.24 28.04 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.858 -0.793 . . . . 1.98 108.858 173.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.1 mt -104.1 105.74 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.072 0.463 . . . . 1.2 110.883 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.52 HD22 ' HB2' ' A' ' 106' ' ' ARG . 73.3 mt -88.37 143.48 26.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.015 -0.735 . . . . 2.19 109.015 173.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -167.28 166.81 14.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.377 -0.231 . . . . 1.82 110.377 177.706 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 29.0 mt-10 -102.75 102.19 12.33 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.2 -1.037 . . . . 2.04 108.2 169.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -174.6 132.24 0.49 Allowed Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.156 -0.475 . . . . 2.58 110.125 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.35 117.7 4.72 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.562 1.508 . . . . 1.08 109.852 168.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.6 m -121.15 128.07 75.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.189 0.519 . . . . 1.8 112.165 -173.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 m -91.92 156.93 42.05 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.837 -0.619 . . . . 1.62 109.529 174.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -45.55 -41.41 18.55 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.118 2.545 . . . . 1.38 113.787 -176.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 42.3 mt-10 -62.71 -32.9 74.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.441 -0.345 . . . . 2.43 111.697 -178.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -69.04 -30.65 69.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 4.04 110.709 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -68.02 -38.7 82.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.393 -0.595 . . . . 1.46 109.393 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -73.39 -27.05 61.26 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.525 -0.761 . . . . 3.58 110.672 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 30.3 mtpp -62.34 -51.29 68.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.077 0.465 . . . . 2.86 109.79 174.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.8 mt -69.71 -36.09 75.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.623 . . . . 1.77 110.343 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -66.09 -24.58 66.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.698 -0.683 . . . . 2.77 110.046 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -80.38 -29.01 37.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.249 -0.432 . . . . 3.34 111.365 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.89 -46.35 45.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 3.82 110.838 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.06 133.87 51.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.095 -0.502 . . . . 1.19 109.964 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.53 101.64 5.73 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.61 -0.885 . . . . 1.77 108.61 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.67 -177.31 0.96 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.259 -1.337 . . . . 1.2 108.568 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 5.2 pt-20 -115.6 89.66 3.15 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.751 0.786 . . . . 1.77 109.239 169.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 9.9 p -86.33 144.82 8.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.718 -0.674 . . . . 1.66 110.713 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.34 116.0 27.54 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.361 -0.977 . . . . 3.21 108.361 170.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.5 m -87.47 134.35 27.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 120.42 -0.512 . . . . 1.33 109.738 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.52 ' HB2' HD22 ' A' ' 82' ' ' LEU . 29.8 mmt180 -132.49 137.74 47.31 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.302 -0.259 . . . . 3.2 110.302 -178.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 10.0 t -91.01 128.96 37.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.211 0.529 . . . . 1.25 109.843 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.414 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 13.2 m -117.83 107.76 22.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.66 0.743 . . . . 1.93 110.931 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.8 p -105.01 1.88 29.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.692 -0.685 . . . . 1.68 110.717 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.6 m -154.22 152.26 26.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.829 -0.623 . . . . 1.09 109.928 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.486 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 78.5 Cg_exo -51.78 -45.51 37.8 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.638 2.226 . . . . 0.7 112.726 -178.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.442 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 8.9 m-20 -60.84 -32.34 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.675 -0.693 . . . . 2.04 111.811 -175.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -56.7 -44.02 81.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.391 . . . . 2.21 110.742 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.92 -58.11 8.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.532 -0.758 . . . . 1.27 111.731 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 65.6 pttt -64.59 -28.68 69.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 1.97 111.281 -174.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -62.8 -49.75 73.72 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.117 -0.492 . . . . 4.92 110.699 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -63.46 -42.77 98.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.171 -0.468 . . . . 1.18 110.439 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.6 mt -56.82 -38.61 59.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.806 -0.634 . . . . 1.21 111.337 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -59.16 -45.21 91.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 3.07 111.133 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -80.89 -18.5 47.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.17 -0.468 . . . . 2.48 111.248 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 80.7 t80 -81.11 -42.2 21.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.946 -0.57 . . . . 2.33 111.169 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.5 p -77.12 -43.79 32.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.539 -0.301 . . . . 1.88 111.07 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.68 0.276 . . . . 2.53 110.501 177.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.598 0.237 . . . . 2.65 110.71 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.402 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 13.2 m -95.62 143.38 26.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.688 -0.486 . . . . 1.23 109.688 172.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.37 114.23 28.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.019 0.438 . . . . 1.11 110.743 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 65.6 m-85 -109.77 136.71 48.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.925 -0.58 . . . . 2.21 109.826 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 91.2 t -117.96 128.63 75.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.452 0.644 . . . . 1.71 110.334 176.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 58' ' ' LEU . 11.2 mp -114.01 151.77 31.93 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.489 -0.93 . . . . 1.75 108.489 173.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.7 tt -143.0 117.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 109.82 -0.437 . . . . 1.27 109.82 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 54' ' ' ASP . 7.8 tp -111.56 79.72 1.24 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.809 0.814 . . . . 1.88 109.462 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -149.37 144.13 26.21 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 107.442 -1.318 . . . . 1.57 107.442 171.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -113.8 84.94 2.11 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 117.622 -1.631 . . . . 3.28 110.046 169.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 9.2 t70 -121.53 129.26 52.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.681 -1.6 . . . . 1.57 107.924 166.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -65.53 -29.81 70.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.345 0.498 . . . . 3.5 112.345 -171.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -89.08 -42.93 11.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.872 0.368 . . . . 3.83 110.3 -176.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.612 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 16.3 tp -56.58 -48.19 77.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 2.15 110.934 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.6 mt -58.84 -38.25 71.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 116.04 -0.527 . . . . 1.31 111.263 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.6 mm-40 -67.01 -60.0 3.0 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.826 -0.35 . . . . 2.15 111.301 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.455 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 32.8 mm-40 -59.46 -31.74 69.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.868 0.322 . . . . 2.05 111.868 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.03 79.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.376 . . . . 1.19 110.405 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.486 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 32.9 ttm180 -76.89 -26.44 54.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.453 -0.34 . . . . 3.54 110.907 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 70.0 mmtt -54.17 -47.72 71.69 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.472 0.653 . . . . 2.36 109.395 173.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.5 mmm -71.36 -47.9 53.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.094 -0.957 . . . . 2.32 110.856 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.06 -42.65 89.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.702 0.63 . . . . 1.25 112.702 -174.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 5.4 mm-40 -57.39 -41.52 80.44 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.984 0.421 . . . . 2.41 110.411 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.526 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 1.5 mptm? -77.69 -29.01 51.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.735 -0.666 . . . . 4.01 111.118 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.74 5.3 25.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.445 -0.343 . . . . 1.25 111.755 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 61.44 33.25 18.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.969 -0.559 . . . . 2.78 110.598 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.406 ' CD1' HG21 ' A' ' 118' ' ' ILE . 90.5 mt -100.79 132.04 46.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.039 -0.528 . . . . 1.32 110.372 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -79.95 93.73 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.347 -0.612 . . . . 1.3 109.347 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.593 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -99.14 124.91 44.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.008 -0.542 . . . . 1.77 110.466 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.4 ' N ' HD11 ' A' ' 50' ' ' ILE . 4.5 mp -107.8 109.12 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.943 -0.572 . . . . 1.59 109.734 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.88 116.16 17.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.067 -0.515 . . . . 1.72 111.535 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.45 142.08 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 1.96 110.23 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.573 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -135.21 93.44 0.24 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 119.539 -1.315 . . . . 1.24 111.656 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.573 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 16.2 t70 151.63 139.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.854 1.262 . . . . 1.98 107.652 -176.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -63.67 -23.92 67.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.669 0.271 . . . . 2.21 111.062 -175.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 10.1 mm-40 -84.33 -33.43 23.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.513 -0.312 . . . . 2.04 110.873 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.63 -32.12 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.833 -0.347 . . . . 2.16 110.264 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.435 ' CD1' HD23 ' A' ' 26' ' ' LEU . 28.4 tp -63.69 -36.16 82.92 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.946 -0.391 . . . . 1.39 109.946 176.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 34.5 mmtm -58.93 -30.46 67.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.528 0.68 . . . . 2.76 110.481 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -84.97 -40.31 17.08 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.054 -0.975 . . . . 2.81 110.569 -175.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.92 85.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.873 -0.603 . . . . 1.17 110.841 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 58' ' ' LEU . 83.2 mt -57.81 -50.67 76.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 1.48 111.114 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.35 -31.77 71.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 3.28 110.665 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.5 tttp -64.49 -46.59 82.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 2.74 109.911 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.64 86.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.799 -0.637 . . . . 1.12 110.612 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 8.6 t70 -56.48 -54.14 49.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.591 -0.731 . . . . 1.36 110.404 176.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 6.9 m-20 -59.84 -48.27 82.35 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.971 -0.559 . . . . 1.68 111.934 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 64' ' ' LYS . 76.5 mt -58.96 -36.6 62.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 120.901 0.382 . . . . 1.27 111.074 -176.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -66.43 -44.33 83.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.922 -0.581 . . . . 1.18 111.538 -178.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 29.6 mmtp -70.47 -31.44 68.57 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 116.302 -0.408 . . . . 2.02 111.549 -172.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 30.3 mtpp . . . . . 0 C--N 1.324 -0.535 0 O-C-N 123.57 0.544 . . . . 3.27 110.418 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.968 0.414 . . . . 1.35 110.757 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.484 ' HE3' ' NH2' ' A' ' 104' ' ' ARG . 39.4 mttp -111.8 122.4 47.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.936 -0.575 . . . . 2.24 109.818 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.452 ' HB ' HG23 ' A' ' 103' ' ' VAL . 55.9 mt -124.25 128.86 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.302 -0.408 . . . . 1.23 110.124 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 tp -111.76 115.29 28.83 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.865 -0.42 . . . . 1.98 109.865 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.0 mt -102.19 99.85 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.101 -0.24 . . . . 1.2 110.649 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 46.5 mt -90.7 99.18 12.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.956 0.408 . . . . 2.19 110.133 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.9 OUTLIER -120.69 165.23 15.36 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 122.305 -0.247 . . . . 1.82 110.433 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.19 100.74 10.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.981 -1.118 . . . . 2.04 107.981 171.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -175.42 137.81 0.54 Allowed Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 114.896 -1.047 . . . . 2.58 109.26 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.21 119.31 6.33 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 121.776 1.651 . . . . 1.08 110.024 168.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.4 m -124.25 145.24 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.572 0.701 . . . . 1.8 112.485 -172.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.0 t -100.51 144.58 28.75 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 114.999 -1.0 . . . . 1.62 109.252 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.08 -17.26 30.72 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.473 2.782 . . . . 1.38 112.731 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 13.8 tp10 -64.68 -44.7 89.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.979 0.418 . . . . 2.43 110.211 174.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -71.2 -28.08 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 4.04 110.196 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.31 -42.9 99.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.848 -0.615 . . . . 1.46 109.667 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.07 -29.94 69.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.73 -0.668 . . . . 3.58 110.503 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 57.0 mttm -70.72 -43.74 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.373 -0.376 . . . . 2.86 110.219 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.7 mt -72.87 -34.9 67.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.048 0.451 . . . . 1.77 110.344 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 96' ' ' GLN . 1.0 OUTLIER -66.37 -27.06 67.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.79 -0.641 . . . . 2.77 109.551 176.249 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -80.17 -21.19 43.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.919 -0.582 . . . . 3.34 111.137 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -74.83 -42.71 57.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 3.82 110.414 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.35 132.99 56.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.927 -0.579 . . . . 1.19 109.907 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.89 101.55 5.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.969 -0.752 . . . . 1.77 108.969 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.5 -170.15 0.4 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.18 -1.373 . . . . 1.2 108.53 -175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 4.7 pt-20 -116.35 89.08 3.03 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.776 0.798 . . . . 1.77 109.193 167.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.452 HG23 ' HB ' ' A' ' 79' ' ' ILE . 5.3 p -82.43 136.87 22.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.486 0.66 . . . . 1.66 109.802 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.484 ' NH2' ' HE3' ' A' ' 78' ' ' LYS . 97.2 mtt180 -114.79 99.78 7.75 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.454 -0.943 . . . . 3.21 108.454 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 m -72.94 136.68 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.135 -0.691 . . . . 1.33 109.135 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.508 ' HB3' HD22 ' A' ' 82' ' ' LEU . 15.1 tpp180 -138.94 127.78 23.53 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.788 0.328 . . . . 3.2 110.716 -174.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 15.1 t -90.47 126.36 35.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.193 0.52 . . . . 1.25 110.054 177.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.6 m -114.73 143.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.159 -0.473 . . . . 1.93 110.415 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -107.53 -39.66 5.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.097 -0.502 . . . . 1.68 111.768 -178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.0 m -134.4 160.55 68.06 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 119.416 -0.326 . . . . 1.09 110.624 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 81.1 Cg_exo -47.66 -46.65 20.37 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.873 2.382 . . . . 0.7 113.237 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.03 -29.59 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 2.04 111.706 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 28.5 mm-40 -63.64 -40.18 96.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.72 0.295 . . . . 2.21 110.518 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.65 -47.93 81.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.856 -0.424 . . . . 1.27 109.856 176.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -57.29 -42.66 82.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.646 -0.706 . . . . 1.97 110.349 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 113' ' ' GLU . 54.9 ttt180 -51.13 -56.23 13.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.107 -0.951 . . . . 4.92 111.53 175.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -71.77 -34.65 69.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 1.18 111.492 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.406 HG21 ' CD1' ' A' ' 47' ' ' LEU . 57.3 mt -58.15 -49.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.519 -0.309 . . . . 1.21 111.427 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.3 -40.4 93.74 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.921 -0.312 . . . . 3.07 110.841 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.09 -30.16 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 2.48 111.125 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -75.74 -33.36 60.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.211 -0.45 . . . . 2.33 110.161 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 m -68.28 -43.38 77.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.687 -0.688 . . . . 1.88 110.235 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.046 -0.525 . . . . 2.53 110.012 177.565 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.006 -0.368 . . . . 2.65 110.006 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 m -98.57 130.49 45.12 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.256 -0.578 . . . . 1.23 110.148 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -105.3 130.07 53.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.289 -0.414 . . . . 1.11 110.25 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.637 ' CE2' ' HB3' ' A' ' 69' ' ' ALA . 61.1 m-85 -117.83 152.15 35.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.151 -0.477 . . . . 2.21 110.99 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.42 124.37 48.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 121.766 0.793 . . . . 1.71 110.196 171.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.542 HD23 ' CD1' ' A' ' 58' ' ' LEU . 8.5 mp -105.67 152.8 22.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.659 -1.155 . . . . 1.75 109.041 175.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.49 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 5.6 tp -139.57 108.88 3.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 109.759 -0.46 . . . . 1.27 109.759 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 7.4 tp -97.21 76.44 2.63 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 119.294 -0.963 . . . . 1.88 108.606 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -149.58 141.78 24.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.813 -1.539 . . . . 1.57 108.223 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -114.09 84.75 2.09 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 117.538 -1.665 . . . . 3.28 109.928 166.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 14.3 t70 -122.1 118.79 29.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.284 -1.326 . . . . 1.57 107.996 164.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 45.6 mtmt -65.4 -24.37 67.2 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 111.808 0.299 . . . . 3.5 111.808 -174.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -83.75 -39.13 20.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.46 . . . . 3.83 109.981 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.576 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 14.8 tp -64.81 -51.63 61.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 2.15 111.016 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.7 mt -51.81 -36.69 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 O-C-N 123.787 0.679 . . . . 1.31 110.743 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 15.6 mm-40 -59.46 -56.97 15.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.999 -0.546 . . . . 2.15 111.284 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.37 -30.19 63.14 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.804 -0.358 . . . . 2.05 111.34 -175.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.2 86.75 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.103 -0.703 . . . . 1.19 109.103 173.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.8 ttm-85 -71.09 -46.18 62.29 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.479 -0.782 . . . . 3.54 110.236 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 24.7 mmtp -55.6 -46.21 77.33 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.977 0.418 . . . . 2.36 110.377 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.468 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 1.1 tpt -66.06 -44.92 83.13 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.741 -0.663 . . . . 2.32 110.992 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.27 -27.64 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 1.25 111.396 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.5 tm-20 -63.59 -44.06 95.12 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.496 -0.927 . . . . 2.41 108.496 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 93.1 mttt -72.84 -24.01 60.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.728 -1.124 . . . . 4.01 111.133 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.66 -1.99 58.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 1.25 111.548 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.5 m120 62.31 35.35 15.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.864 -0.607 . . . . 2.78 111.495 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.8 mt -96.63 148.61 22.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.643 -0.708 . . . . 1.32 110.246 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.481 ' HB ' ' CD1' ' A' ' 24' ' ' PHE . 4.9 mm -79.66 107.58 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.342 -0.614 . . . . 1.3 109.342 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 39' ' ' ARG . 39.8 tp -90.91 129.63 36.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.867 0.365 . . . . 1.77 111.073 -178.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.42 107.95 22.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 1.59 109.706 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 p -81.93 126.53 32.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.671 -0.695 . . . . 1.72 110.184 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 4.1 p -153.45 141.0 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.572 -0.285 . . . . 1.96 110.692 -175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -140.19 96.38 0.21 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.195 -1.003 . . . . 1.24 112.465 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.7 t70 152.25 141.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.435 1.494 . . . . 1.98 107.358 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -71.17 -28.73 64.46 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.829 0.347 . . . . 2.21 111.322 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.1 mm-40 -80.61 -32.59 36.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.981 -0.748 . . . . 2.04 108.981 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.433 ' CG ' ' HB3' ' A' ' 54' ' ' ASP . 19.5 mm-40 -71.55 -24.94 62.03 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.535 -0.757 . . . . 2.16 110.653 176.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.542 ' CD1' HD23 ' A' ' 26' ' ' LEU . 52.6 tp -65.55 -34.63 78.71 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.427 -0.582 . . . . 1.39 109.427 174.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 59.6 mttm -60.36 -27.26 67.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.581 0.705 . . . . 2.76 110.273 174.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -88.7 -38.0 15.09 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.049 -0.978 . . . . 2.81 110.712 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.67 91.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.391 . . . . 1.17 110.835 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.28 -46.79 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.03 -0.532 . . . . 1.48 110.581 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -66.76 -34.98 79.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.397 . . . . 3.28 110.599 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' HG13 ' A' ' 68' ' ' ILE . 87.0 tttt -57.49 -44.09 84.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 2.74 110.353 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.77 -41.5 71.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.619 . . . . 1.12 110.971 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -52.84 -46.97 68.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.807 -0.633 . . . . 1.36 111.068 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.31 -40.84 90.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 1.68 111.616 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 64' ' ' LYS . 82.3 mt -61.82 -43.23 97.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.081 0.467 . . . . 1.27 110.456 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.637 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -73.84 -57.51 3.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 1.18 112.095 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -69.02 -29.03 67.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.393 -0.822 . . . . 2.02 112.629 -163.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.6 tptp . . . . . 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 3.27 110.903 -179.47 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.953 -0.388 . . . . 1.35 109.953 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -126.54 133.66 51.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.842 0.353 . . . . 2.24 110.227 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 58.1 mt -125.23 131.33 72.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.054 -0.521 . . . . 1.23 110.166 -177.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.74 108.55 20.08 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.179 -0.674 . . . . 1.98 109.179 176.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.433 ' HB ' HG13 ' A' ' 105' ' ' VAL . 76.2 mt -94.72 108.15 20.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.176 -0.61 . . . . 1.2 110.036 175.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 88.7 mt -91.87 120.05 32.2 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.254 -0.647 . . . . 2.19 109.254 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.56 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.2 pt? -140.81 155.33 46.4 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.669 -0.241 . . . . 1.82 110.456 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -107.08 99.4 8.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.884 0.85 . . . . 2.04 110.241 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -174.81 163.97 2.41 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 114.067 -1.424 . . . . 2.58 108.199 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.65 119.6 6.64 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 121.796 1.664 . . . . 1.08 111.172 170.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.0 m -124.52 130.38 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.278 0.561 . . . . 1.8 111.396 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.3 p -100.18 167.96 10.16 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 1.62 109.767 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.04 -31.01 88.86 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 121.749 1.633 . . . . 1.38 111.443 172.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.77 -33.09 68.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.075 -0.511 . . . . 2.43 110.589 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -65.72 -45.63 81.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.472 -0.566 . . . . 4.04 109.472 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.84 -43.02 99.68 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.845 -0.616 . . . . 1.46 110.324 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -58.03 -35.26 71.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.02 -0.536 . . . . 3.58 110.88 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -65.17 -36.76 85.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.25 -0.432 . . . . 2.86 110.944 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.2 mt -86.5 -35.23 19.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.201 0.524 . . . . 1.77 110.603 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.582 ' HA ' ' CG1' ' A' ' 103' ' ' VAL . 64.7 tt0 -69.41 -27.66 65.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.582 -0.735 . . . . 2.77 110.661 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -81.32 -27.17 35.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.49 -0.323 . . . . 3.34 110.925 172.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.92 -45.88 90.4 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.88 0.371 . . . . 3.82 111.195 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.51 154.05 26.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.212 -0.449 . . . . 1.19 110.55 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -92.15 99.01 11.89 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.81 -0.811 . . . . 1.77 108.81 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.96 -175.42 0.59 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.091 -1.413 . . . . 1.2 107.509 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -109.4 87.66 2.55 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.332 -0.988 . . . . 1.77 108.332 167.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.582 ' CG1' ' HA ' ' A' ' 96' ' ' GLN . 3.3 p -98.59 122.04 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 115.409 -0.814 . . . . 1.66 110.503 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -113.01 131.16 55.88 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.068 -0.969 . . . . 3.21 108.962 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.433 HG13 ' HB ' ' A' ' 81' ' ' ILE . 3.4 m -113.78 129.84 68.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.251 0.548 . . . . 1.33 110.216 -173.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.445 ' HB2' HD22 ' A' ' 82' ' ' LEU . 2.4 mmp_? -121.09 137.02 54.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.019 -0.537 . . . . 3.2 110.317 -176.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.56 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 5.3 t -87.56 115.81 25.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.382 0.611 . . . . 1.25 110.366 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.5 m -118.33 122.29 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.969 -0.56 . . . . 1.93 111.026 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.2 p -105.47 1.67 27.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.183 -0.462 . . . . 1.68 111.786 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 m -153.53 157.16 32.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 O-C-N 122.4 -0.188 . . . . 1.09 110.934 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.576 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 82.4 Cg_exo -50.31 -52.97 7.89 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.093 2.529 . . . . 0.7 113.452 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.33 -29.0 70.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 2.04 111.651 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.78 -47.38 86.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.158 0.504 . . . . 2.21 109.824 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -64.77 -47.61 77.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 1.27 110.77 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -56.55 -36.76 69.64 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.777 -0.647 . . . . 1.97 110.811 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.4 -58.03 9.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.683 -0.689 . . . . 4.92 111.166 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -66.13 -31.52 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 1.18 111.843 -173.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.3 mt -59.42 -45.49 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.922 0.391 . . . . 1.21 110.52 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.493 ' HB2' ' HZ1' ' A' ' 119' ' ' LYS . 10.1 mtmp? -73.1 -28.01 62.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 3.07 111.142 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -71.71 -44.93 63.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.945 0.402 . . . . 2.48 110.383 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -63.92 -28.82 70.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.837 -0.619 . . . . 2.33 110.96 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.8 m -64.4 -30.05 71.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.054 0.455 . . . . 1.88 110.656 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.008 -0.542 . . . . 2.53 111.363 -175.825 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.479 ' SD ' ' HG3' ' A' ' 78' ' ' LYS . 40.3 ttm . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.833 -0.432 . . . . 2.65 109.833 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 m -104.32 132.48 50.52 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.013 -0.365 . . . . 1.23 110.013 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -99.75 123.75 44.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.09 0.471 . . . . 1.11 110.82 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.474 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 57.9 m-85 -111.39 141.46 44.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.73 -0.668 . . . . 2.21 109.95 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.9 t -121.22 106.81 19.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.166 0.508 . . . . 1.71 110.348 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.439 ' HB2' HG12 ' A' ' 81' ' ' ILE . 7.9 mp -95.32 141.43 28.9 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.651 -0.87 . . . . 1.75 108.651 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.67 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 12.2 tt -148.38 128.09 4.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.104 -0.638 . . . . 1.27 112.574 -174.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 28' ' ' LEU . 6.2 mp -115.94 80.95 1.52 Allowed 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.251 -0.648 . . . . 1.88 109.251 171.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -149.17 88.69 1.6 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.634 -0.876 . . . . 1.57 108.634 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -86.23 85.68 7.34 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.028 -1.469 . . . . 3.28 110.711 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.579 ' OD2' ' HG3' ' A' ' 33' ' ' LYS . 23.8 t70 -121.11 137.05 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.106 -1.406 . . . . 1.57 107.745 163.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -55.66 28.37 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 119.067 0.849 . . . . 3.5 111.536 -171.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.579 ' HG3' ' OD2' ' A' ' 31' ' ' ASP . 13.3 pttp -64.77 -36.19 83.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 3.83 111.593 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.514 ' CD2' ' HA ' ' A' ' 111' ' ' PRO . 3.0 tm? -56.24 -53.95 51.14 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.724 0.297 . . . . 2.15 110.338 175.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.55 -36.79 75.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 1.31 110.705 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.627 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 6.5 mm-40 -59.24 -61.47 2.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 2.15 110.889 175.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.519 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 54.0 mm-40 -58.32 -41.86 85.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.356 -0.383 . . . . 2.05 111.996 -177.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.91 93.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 1.19 111.111 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -69.51 -38.99 77.84 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 120.862 -0.335 . . . . 3.54 110.894 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 65.5 mttm -56.13 -31.32 63.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 2.36 110.847 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.2 tpp -75.7 -56.18 4.94 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.218 -0.446 . . . . 2.32 111.216 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.23 71.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.307 0.484 . . . . 1.25 112.307 -174.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.32 -51.08 71.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.305 0.574 . . . . 2.41 109.459 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -66.1 -30.9 71.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.039 -0.982 . . . . 4.01 110.715 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.56 -3.76 39.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 1.25 111.493 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.2 t30 67.35 43.23 2.03 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.581 -0.736 . . . . 2.78 110.491 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -107.2 155.97 19.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.539 -0.755 . . . . 1.32 109.214 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mt -94.77 96.1 5.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.151 0.5 . . . . 1.3 109.852 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tt -89.87 133.01 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.838 -0.619 . . . . 1.77 109.912 -178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.3 mm -118.76 102.21 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.053 -0.521 . . . . 1.59 110.24 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.81 120.38 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 1.72 110.463 175.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.438 HG12 ' HB1' ' A' ' 61' ' ' ALA . 4.5 m -127.48 -178.12 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.104 0.478 . . . . 1.96 111.454 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -135.98 99.06 0.3 Allowed Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.54 -0.755 . . . . 1.24 112.415 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 6.4 m-20 87.04 162.56 0.08 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.0 0.92 . . . . 1.98 111.343 170.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 2.4 mp0 -47.93 -41.94 26.04 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.352 0.407 . . . . 2.21 111.359 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.79 -50.27 72.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.526 -0.761 . . . . 2.04 111.106 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 31.5 mm-40 -70.22 -28.74 65.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.557 -0.292 . . . . 2.16 111.021 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 62' ' ' ILE . 60.5 tp -63.88 -41.07 97.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.326 -0.397 . . . . 1.39 110.033 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 67.6 mttm -56.2 -32.2 64.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.311 0.577 . . . . 2.76 111.149 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 6.8 mmpt? -84.32 -31.32 24.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.346 -0.843 . . . . 2.81 110.421 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB1' HG12 ' A' ' 52' ' ' VAL . . . -71.65 -37.1 70.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 1.17 110.087 175.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 58' ' ' LEU . 95.6 mt -59.51 -51.4 73.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.595 -0.729 . . . . 1.48 110.611 177.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -71.25 -29.06 64.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.47 -0.332 . . . . 3.28 110.571 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 68' ' ' ILE . 85.3 tttt -65.38 -48.25 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 2.74 110.171 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.79 99.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 1.12 110.237 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.87 -34.79 68.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.372 -0.831 . . . . 1.36 110.861 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 38.7 t70 -83.68 -42.67 16.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.788 -0.642 . . . . 1.68 111.755 -175.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LYS . 77.4 mt -67.43 -40.4 84.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.167 0.508 . . . . 1.27 110.684 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . . . -65.95 -60.31 2.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.685 -0.689 . . . . 1.18 111.262 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 23.1 ttmt -64.61 -23.96 67.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.806 -1.088 . . . . 2.02 111.509 -174.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 87.6 tttt . . . . . 0 C--N 1.33 -0.278 0 O-C-N 124.182 0.927 . . . . 3.27 111.22 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.547 0 CA-C-O 121.157 0.503 . . . . 1.35 110.981 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HG3' ' SD ' ' A' ' 21' ' ' MET . 44.0 mttm -129.89 126.19 37.36 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.374 -0.973 . . . . 2.24 108.374 172.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.446 ' HB ' HG21 ' A' ' 103' ' ' VAL . 62.0 mt -121.67 143.31 34.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.977 -0.556 . . . . 1.23 109.969 -172.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.449 HD22 ' O ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -112.18 124.34 52.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.04 -0.726 . . . . 1.98 109.04 176.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' A' ' 26' ' ' LEU . 80.3 mt -109.2 103.9 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.996 -0.372 . . . . 1.2 109.996 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.67 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 90.3 mt -99.33 140.51 33.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 2.19 109.953 176.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.434 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -163.44 156.05 18.27 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.67 -0.241 . . . . 1.82 110.722 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -99.41 99.17 10.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.493 -1.669 . . . . 2.04 106.493 171.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.416 ' HB3' HD11 ' A' ' 83' ' ' LEU . 24.5 ttmm -176.75 143.73 0.59 Allowed Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.234 -0.894 . . . . 2.58 109.527 -172.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.36 118.21 5.27 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.388 1.392 . . . . 1.08 110.621 170.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -130.93 143.8 39.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.174 0.512 . . . . 1.8 111.053 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -87.63 137.19 32.19 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.51 -0.768 . . . . 1.62 110.12 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.46 -20.68 41.88 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.921 2.414 . . . . 1.38 111.863 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.97 -42.27 66.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.297 -0.631 . . . . 2.43 109.297 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -66.92 -30.91 71.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.363 -0.835 . . . . 4.04 110.01 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.77 -40.86 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.768 -0.651 . . . . 1.46 110.82 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -81.78 -11.92 58.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.295 -0.412 . . . . 3.58 110.782 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.18 -46.91 39.18 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.294 -1.002 . . . . 2.86 108.294 171.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.414 ' HA ' ' CD1' ' A' ' 98' ' ' TYR . 9.2 mp -66.27 -38.51 87.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.0 -1.0 . . . . 1.77 110.581 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -67.7 -23.13 65.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 2.77 109.992 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -80.22 -38.48 31.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 3.34 111.394 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 20.4 m-85 -61.27 -50.05 74.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.807 0.337 . . . . 3.82 111.226 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.54 149.43 22.21 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.482 -0.562 . . . . 1.19 109.482 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -87.25 99.53 12.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.156 -1.053 . . . . 1.77 108.156 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.32 178.24 1.39 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.462 -1.245 . . . . 1.2 109.085 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -111.74 89.37 3.04 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.054 -0.721 . . . . 1.77 109.054 169.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.446 HG21 ' HB ' ' A' ' 79' ' ' ILE . 6.4 p -86.67 138.39 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 121.527 0.68 . . . . 1.66 110.386 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.449 ' O ' HD22 ' A' ' 80' ' ' LEU . 67.4 ttt180 -111.58 101.24 9.66 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.023 -0.989 . . . . 3.21 108.531 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.51 111.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 110.131 -0.322 . . . . 1.33 110.131 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -123.04 133.57 54.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.07 0.462 . . . . 3.2 111.06 -174.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.9 t -87.45 138.95 31.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.062 -0.517 . . . . 1.25 109.898 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.56 150.06 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.939 0.399 . . . . 1.93 110.559 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.1 p -117.52 -27.04 6.44 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.843 -0.617 . . . . 1.68 111.584 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.2 m -139.69 152.47 68.51 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 122.207 -0.308 . . . . 1.09 111.284 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.514 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 51.3 Cg_exo -53.1 -47.76 25.8 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.651 2.234 . . . . 0.7 113.495 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.59 -39.78 74.12 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.063 0.459 . . . . 2.04 111.012 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -63.24 -42.99 99.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.386 -0.825 . . . . 2.21 110.328 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.07 95.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.524 . . . . 1.27 110.521 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.519 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 54.6 mtpt -60.3 -37.14 79.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.918 -0.583 . . . . 1.97 110.281 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.97 -44.43 96.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.292 -0.867 . . . . 4.92 111.152 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -65.44 -43.97 88.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 1.18 110.594 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.02 -44.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.995 0.426 . . . . 1.21 110.43 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 123' ' ' GLU . 62.1 tttp -57.22 -51.05 70.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.616 -0.72 . . . . 3.07 110.728 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.0 -41.78 97.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 2.48 110.728 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -67.59 -30.82 70.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.758 -0.656 . . . . 2.33 111.026 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.7 t -75.67 -34.31 60.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.148 -0.478 . . . . 1.88 110.651 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 119' ' ' LYS . 44.7 mt-10 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.485 -0.325 . . . . 2.53 111.245 -177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.782 0.325 . . . . 2.65 110.44 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.3 m -96.54 147.45 23.85 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.765 -0.458 . . . . 1.23 109.765 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.8 mt -113.46 120.58 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.05 0.452 . . . . 1.11 110.782 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.402 ' CE2' HD11 ' A' ' 48' ' ' ILE . 68.8 m-85 -111.15 149.31 31.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.995 -0.548 . . . . 2.21 110.153 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.5 p -142.02 122.4 11.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.509 0.671 . . . . 1.71 111.242 177.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.7 mm? -103.24 162.85 12.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.072 -0.967 . . . . 1.75 108.669 176.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.646 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.6 tt -150.23 118.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.233 0.457 . . . . 1.27 112.233 -175.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -107.56 79.81 1.33 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.504 0.669 . . . . 1.88 109.863 170.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -149.57 144.81 26.46 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.085 -1.08 . . . . 1.57 108.085 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -122.01 86.53 2.59 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.389 -1.324 . . . . 3.28 110.43 166.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.1 t70 -119.9 145.16 46.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.282 -1.327 . . . . 1.57 108.506 167.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -75.38 -32.23 60.72 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 111.791 0.293 . . . . 3.5 111.791 -173.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -82.62 -46.83 12.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.673 0.273 . . . . 3.83 110.675 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.612 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 38.6 tp -54.57 -51.28 65.76 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.885 -0.598 . . . . 2.15 111.22 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.2 mt -58.42 -39.66 75.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.714 0.292 . . . . 1.31 111.292 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 15.2 mm-40 -69.64 -56.31 7.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.544 -0.298 . . . . 2.15 111.313 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.85 -33.03 74.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.585 -0.279 . . . . 2.05 111.439 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.91 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.651 -0.25 . . . . 1.19 110.69 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -72.65 -34.42 67.24 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 120.222 -0.591 . . . . 3.54 110.785 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.623 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 68.9 mttm -61.41 -37.99 85.47 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.557 -0.457 . . . . 2.36 110.329 177.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.403 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 6.5 tpt -74.76 -47.38 31.3 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.309 -0.405 . . . . 2.32 110.335 176.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . . . -69.93 -31.19 68.82 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.367 0.506 . . . . 1.25 112.367 -175.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -65.9 -47.42 74.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.464 -0.569 . . . . 2.41 109.464 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.623 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 4.2 mptp? -73.6 -11.65 60.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.545 . . . . 4.01 110.377 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' ' 122' ' ' SER . . . -97.45 1.17 48.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.914 -0.585 . . . . 1.25 110.423 176.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 56.75 43.38 25.31 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.072 -0.967 . . . . 2.78 111.889 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 54.5 mt -104.5 141.7 35.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.925 -0.58 . . . . 1.32 109.943 178.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.402 HD11 ' CE2' ' A' ' 24' ' ' PHE . 40.3 mt -82.01 96.81 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.856 -0.424 . . . . 1.3 109.856 177.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HA ' HG11 ' A' ' 25' ' ' VAL . 19.0 tp -92.89 111.98 23.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 1.77 111.336 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.477 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 5.2 mp -104.79 115.78 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.131 -0.486 . . . . 1.59 109.711 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.9 p -75.4 122.65 24.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.273 -0.421 . . . . 1.72 110.167 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 p -150.35 115.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.889 0.376 . . . . 1.96 110.855 -174.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -116.75 95.79 0.69 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 119.562 -1.304 . . . . 1.24 113.007 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 31.4 t70 161.71 146.01 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.707 1.203 . . . . 1.98 108.919 173.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -64.44 -47.36 79.35 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.945 0.339 . . . . 2.21 111.086 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 28.9 mm-40 -67.69 -37.82 82.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.153 -0.476 . . . . 2.04 110.01 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 68.7 mm-40 -65.26 -32.87 74.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.268 -0.424 . . . . 2.16 110.826 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 62' ' ' ILE . 58.1 tp -60.7 -44.23 96.81 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.686 -0.487 . . . . 1.39 109.686 175.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -56.49 -24.39 45.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.342 0.592 . . . . 2.76 111.002 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 45.0 mmtt -90.31 -33.82 15.96 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.294 -0.866 . . . . 2.81 110.024 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.88 60.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.705 . . . . 1.17 111.246 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -65.83 -34.37 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 120.304 -0.558 . . . . 1.48 109.902 177.048 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -65.34 -38.02 88.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 3.28 110.402 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -65.81 -41.29 92.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.92 -0.582 . . . . 2.74 110.198 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.32 97.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 1.12 110.193 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -56.69 -41.37 77.24 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.469 -0.787 . . . . 1.36 111.088 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.39 -50.54 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.616 -0.72 . . . . 1.68 111.116 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.2 mt -68.42 -35.51 70.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.286 -0.416 . . . . 1.27 110.93 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.57 -66.35 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.321 -0.4 . . . . 1.18 111.689 -178.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -66.55 -10.92 50.07 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 112.241 0.46 . . . . 2.02 112.241 -174.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.025 0.828 . . . . 3.27 111.387 -179.498 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.818 0.342 . . . . 1.35 110.777 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.33 131.8 54.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.773 -0.825 . . . . 2.24 108.773 171.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mm -120.27 113.76 41.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.03 -0.359 . . . . 1.23 110.03 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 104' ' ' ARG . 26.7 tp -94.28 126.35 39.48 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.718 -0.475 . . . . 1.98 109.718 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.6 mt -112.44 99.73 9.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.492 -0.558 . . . . 1.2 109.492 174.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.646 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -92.63 110.49 21.92 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.41 -0.814 . . . . 2.19 109.463 -175.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.1 pp -145.37 177.87 8.51 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.78 0.324 . . . . 1.82 111.376 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.9 102.49 9.12 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.16 -1.052 . . . . 2.04 108.16 168.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -173.73 130.46 0.53 Allowed Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 114.979 -1.009 . . . . 2.58 108.998 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.68 118.81 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 121.952 1.768 . . . . 1.08 110.787 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.3 m -117.19 126.37 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.386 0.612 . . . . 1.8 111.663 -175.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.9 m -99.38 148.39 34.62 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.595 -0.73 . . . . 1.62 110.041 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -44.09 -46.01 11.49 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.045 2.496 . . . . 1.38 113.217 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.21 -41.91 89.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 2.43 111.188 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -67.73 -39.46 84.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.481 -0.327 . . . . 4.04 110.381 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.82 -35.55 80.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.294 0.568 . . . . 1.46 110.016 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -67.95 -34.02 75.77 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.515 -0.766 . . . . 3.58 110.097 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.24 -32.71 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 2.86 110.141 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.438 ' CD1' HG13 ' A' ' 105' ' ' VAL . 91.9 mt -73.5 -38.23 65.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.51 . . . . 1.77 110.079 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -68.32 -20.11 64.72 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.335 0.588 . . . . 2.77 109.826 172.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -79.44 -37.78 36.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.535 -0.757 . . . . 3.34 111.166 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.71 -48.59 76.46 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.912 0.387 . . . . 3.82 110.493 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.01 119.79 36.39 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.654 -0.498 . . . . 1.19 109.654 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -76.42 102.3 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.942 0.877 . . . . 1.77 110.083 -175.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 77' ' ' ALA . . . -174.88 -171.98 0.58 Allowed 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.522 -1.672 . . . . 1.2 106.925 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -99.34 92.1 5.26 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.409 -0.916 . . . . 1.77 109.19 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.6 t -82.14 118.03 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 114.868 -1.06 . . . . 1.66 110.236 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.535 ' O ' HD13 ' A' ' 80' ' ' LEU . 77.6 mtp180 -101.38 101.7 12.39 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.625 -0.716 . . . . 3.21 109.083 174.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.438 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.0 m -91.62 140.04 16.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 109.413 -0.588 . . . . 1.33 109.413 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -133.77 132.04 40.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.609 0.242 . . . . 3.2 111.495 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 6.4 t -100.61 122.56 43.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.986 -0.552 . . . . 1.25 109.782 174.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.16 145.29 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.247 0.546 . . . . 1.93 111.015 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.2 p -93.63 -29.93 15.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.624 -0.716 . . . . 1.68 111.387 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.5 m -149.35 160.42 34.6 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 116.366 -0.379 . . . . 1.09 110.572 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.522 ' HA ' HD11 ' A' ' 34' ' ' LEU . 95.6 Cg_exo -43.07 -44.02 9.62 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.397 2.731 . . . . 0.7 113.18 177.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -51.11 -42.45 60.68 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.29 -0.868 . . . . 2.04 112.418 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.71 -49.19 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 2.21 110.972 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.91 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 1.27 111.332 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -52.38 -41.29 62.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.776 -0.647 . . . . 1.97 110.879 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -82.16 -32.12 30.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.475 . . . . 4.92 111.977 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -70.78 -39.5 73.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.663 0.268 . . . . 1.18 111.236 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.418 HG21 HD11 ' A' ' 47' ' ' LEU . 91.7 mt -61.45 -36.37 72.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.153 -0.476 . . . . 1.21 110.176 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -60.99 -51.37 69.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 3.07 110.973 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.6 -38.55 91.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 2.48 111.326 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -67.71 -44.57 77.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 2.33 111.311 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.435 ' CB ' ' HB1' ' A' ' 45' ' ' ALA . 11.5 p -69.48 -38.54 77.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.58 -0.282 . . . . 1.88 111.336 -177.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 2.53 111.012 179.654 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.757 0.313 . . . . 2.65 110.826 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.8 m -82.0 138.0 35.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.337 -0.616 . . . . 1.23 109.337 172.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HB2' HD22 ' A' ' 47' ' ' LEU . 85.5 mt -102.84 113.27 26.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.164 0.507 . . . . 1.11 110.462 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.487 ' CE1' HD12 ' A' ' 48' ' ' ILE . 57.0 m-85 -101.11 151.21 22.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.701 -0.681 . . . . 2.21 109.607 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.1 p -140.85 117.18 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.907 0.86 . . . . 1.71 110.984 176.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD23 HD13 ' A' ' 58' ' ' LEU . 7.5 mp -103.89 155.77 18.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.755 -1.112 . . . . 1.75 108.598 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.1 tt -146.93 109.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 C-N-CA 120.601 -0.44 . . . . 1.27 111.753 -175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.428 HD11 HD12 ' A' ' 58' ' ' LEU . 2.8 mp -96.31 82.47 3.42 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.625 0.726 . . . . 1.88 109.43 174.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.9 t -147.67 143.8 27.91 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.592 -1.185 . . . . 1.57 108.976 175.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -118.3 84.24 2.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.494 1.14 . . . . 3.28 109.272 164.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.2 t70 -122.15 163.18 19.98 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.072 -1.422 . . . . 1.57 108.011 169.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 46.9 mmtm -90.25 -34.06 15.91 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 118.643 0.656 . . . . 3.5 110.847 174.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -90.19 -43.05 10.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.672 -0.24 . . . . 3.83 111.092 -176.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HG ' ' HA ' ' A' ' 111' ' ' PRO . 6.1 tt -56.56 -43.7 80.21 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.327 -0.397 . . . . 2.15 110.219 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.3 mt -60.32 -48.56 87.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 1.31 111.042 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 21.5 mm-40 -65.87 -45.5 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 2.15 111.703 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -58.49 -37.9 76.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.958 0.409 . . . . 2.05 110.679 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.25 -49.53 71.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 1.19 110.516 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -66.44 -37.45 85.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.365 -0.379 . . . . 3.54 111.611 -177.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 98.4 mttt -49.49 -47.77 48.37 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.987 0.422 . . . . 2.36 110.774 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 mmt -76.42 -52.23 10.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.946 -0.57 . . . . 2.32 111.045 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . . . -64.89 -39.52 93.65 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.493 0.553 . . . . 1.25 112.493 -172.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.05 -39.26 89.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.254 0.55 . . . . 2.41 109.811 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 44' ' ' LYS . 3.9 tmmm? -70.64 -33.22 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.634 -0.712 . . . . 4.01 109.251 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.54 14.72 4.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.671 -0.695 . . . . 1.25 111.048 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.7 p30 46.24 31.25 1.17 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.246 1.019 . . . . 2.78 112.624 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.421 HD22 ' HB2' ' A' ' 23' ' ' LEU . 42.0 mt -79.7 155.07 28.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.415 -0.587 . . . . 1.32 109.415 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.487 HD12 ' CE1' ' A' ' 24' ' ' PHE . 42.0 mt -91.27 92.31 3.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.252 0.549 . . . . 1.3 109.624 176.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 50.6 tp -84.68 117.06 23.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.184 -0.917 . . . . 1.77 110.416 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.9 mt -110.82 101.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.204 0.526 . . . . 1.59 109.693 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.5 p -80.01 100.81 8.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.71 -0.677 . . . . 1.72 111.431 -177.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 13.4 m -126.11 139.04 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.693 -0.685 . . . . 1.96 109.764 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.574 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -125.01 94.15 0.45 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 119.281 -1.437 . . . . 1.24 111.867 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.574 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 13.3 t70 158.8 148.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.734 -1.21 . . . . 1.98 107.734 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -71.99 -25.11 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.79 0.328 . . . . 2.21 110.775 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 10.5 mm-40 -82.16 -37.23 26.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.262 -0.426 . . . . 2.04 109.888 177.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -70.19 -25.85 63.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 2.16 110.655 177.056 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.429 HD13 HD23 ' A' ' 26' ' ' LEU . 63.0 tp -58.75 -43.13 90.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.272 -0.64 . . . . 1.39 109.272 171.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.29 -22.67 66.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.699 -0.682 . . . . 2.76 111.787 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 26.4 mmtp -84.23 -41.3 17.08 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.819 -0.628 . . . . 2.81 109.975 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.67 83.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.671 -0.695 . . . . 1.17 109.934 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.89 -46.1 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 1.48 111.107 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -61.74 -46.32 90.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.35 . . . . 3.28 111.318 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 68' ' ' ILE . 18.4 ptpt -72.28 -27.24 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.814 -0.355 . . . . 2.74 110.921 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.07 -45.42 85.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 1.12 110.068 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -61.68 -38.18 86.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 1.36 110.382 175.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.83 -50.86 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.538 -0.755 . . . . 1.68 111.195 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 64' ' ' LYS . 83.6 mt -64.52 -34.07 67.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-O 121.071 0.462 . . . . 1.27 110.632 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.93 -59.99 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.012 -0.54 . . . . 1.18 111.265 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -66.39 -12.48 57.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.676 0.621 . . . . 2.02 112.676 -175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? . . . . . 0 C--N 1.327 -0.382 0 O-C-N 123.978 0.799 . . . . 3.27 110.753 -175.249 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.812 0.339 . . . . 1.35 111.173 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -127.99 134.55 49.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.007 -0.542 . . . . 2.24 109.84 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 59.2 mt -127.75 135.94 61.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.123 -0.489 . . . . 1.23 110.145 -177.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.36 123.56 48.54 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.93 -0.767 . . . . 1.98 108.93 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.421 HG23 HD21 ' A' ' 83' ' ' LEU . 86.7 mt -110.39 107.62 23.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.553 -0.536 . . . . 1.2 109.553 173.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 106' ' ' ARG . 94.5 mt -92.35 99.74 12.44 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.562 -0.533 . . . . 2.19 109.562 175.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.606 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.7 pt? -124.43 137.86 54.41 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.581 -0.282 . . . . 1.82 110.778 -176.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 47.5 mt-10 -89.09 99.41 12.4 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 119.293 -0.963 . . . . 2.04 109.605 173.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -174.32 157.7 2.52 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 114.896 -1.047 . . . . 2.58 108.351 168.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.85 119.14 6.13 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 121.935 1.756 . . . . 1.08 110.878 172.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.11 140.65 42.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.227 0.537 . . . . 1.8 111.954 -176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -101.07 148.86 35.69 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.42 -0.809 . . . . 1.62 109.284 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -48.96 -36.14 33.8 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.86 2.373 . . . . 1.38 113.007 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.35 -34.47 72.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.284 -0.416 . . . . 2.43 110.854 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -74.63 -31.86 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.651 -0.249 . . . . 4.04 111.18 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.73 -45.25 94.98 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.42 -0.585 . . . . 1.46 109.42 173.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.57 -27.82 69.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 3.58 110.793 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -76.47 -36.56 57.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.55 -0.295 . . . . 2.86 110.568 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.1 mt -77.16 -35.7 55.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.544 0.687 . . . . 1.77 109.534 174.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -67.93 -19.32 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.68 -1.145 . . . . 2.77 109.326 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -81.15 -40.25 24.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.018 -0.992 . . . . 3.34 111.506 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -62.98 -47.16 84.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.823 0.344 . . . . 3.82 111.271 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.45 147.85 27.11 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.507 -0.553 . . . . 1.19 109.507 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -90.47 99.1 12.19 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.416 -0.957 . . . . 1.77 108.416 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.74 176.07 2.32 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 113.866 -1.515 . . . . 1.2 108.44 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -99.94 89.22 3.99 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.796 -0.816 . . . . 1.77 108.796 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 4.6 p -86.66 138.61 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 121.291 0.567 . . . . 1.66 109.965 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -117.91 100.52 7.62 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.278 -0.874 . . . . 3.21 108.649 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -78.47 129.19 37.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.285 -0.566 . . . . 1.33 109.778 -176.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.423 ' HB2' HD21 ' A' ' 82' ' ' LEU . 5.6 mmp_? -130.34 137.2 49.8 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.19 -0.319 . . . . 3.2 110.291 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 13.9 t -102.9 138.2 40.1 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.547 -0.538 . . . . 1.25 109.547 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 27.6 m -130.18 166.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.375 -0.375 . . . . 1.93 110.707 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.7 p -138.01 -7.46 1.61 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.32 -0.4 . . . . 1.68 111.576 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -151.91 144.58 16.92 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 111.936 0.347 . . . . 1.09 111.936 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.5 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 50.9 Cg_exo -37.06 -51.83 1.42 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 124.506 3.471 . . . . 0.7 114.886 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 2.5 m-20 -58.81 -32.09 69.05 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.172 0.434 . . . . 2.04 112.172 -175.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.75 -40.61 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.733 0.302 . . . . 2.21 110.508 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -59.8 -50.99 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.012 -0.54 . . . . 1.27 110.875 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 47.2 pttt -69.25 -27.88 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 1.97 111.062 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -62.01 -48.21 81.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.394 . . . . 4.92 110.584 174.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -67.26 -33.54 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 1.18 111.692 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.3 mt -61.49 -41.88 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.917 0.389 . . . . 1.21 110.436 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.75 -41.7 87.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 3.07 110.713 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.8 -23.09 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.773 -0.649 . . . . 2.48 111.044 -178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -90.96 -49.16 6.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.315 -0.402 . . . . 2.33 111.891 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 p -60.64 -65.68 0.65 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.071 0.397 . . . . 1.88 112.071 -172.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--N 1.327 -0.412 0 C-N-CA 120.572 -0.451 . . . . 2.53 110.316 179.189 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.8 mmt . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.695 -0.483 . . . . 2.65 109.695 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.9 m -73.84 129.29 37.6 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.987 -0.375 . . . . 1.23 109.987 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 78' ' ' LYS . 77.3 mt -106.76 123.58 48.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.196 0.522 . . . . 1.11 111.063 -174.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.454 ' CE2' HD13 ' A' ' 48' ' ' ILE . 49.5 m-85 -114.37 151.23 33.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.612 -0.722 . . . . 2.21 109.957 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.4 p -144.52 120.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.574 0.702 . . . . 1.71 110.747 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 26' ' ' LEU . 6.2 mp -104.04 159.55 15.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.489 -0.93 . . . . 1.75 108.489 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.751 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.3 tt -150.45 120.58 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 120.515 -0.474 . . . . 1.27 112.173 -177.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.5 mp -106.66 81.53 1.59 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.542 -0.54 . . . . 1.88 109.542 167.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.407 ' OG ' HD21 ' A' ' 34' ' ' LEU . 41.5 t -148.41 144.03 27.19 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.707 -0.679 . . . . 1.57 109.171 171.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -126.77 85.94 2.44 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.94 -1.104 . . . . 3.28 110.326 164.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.577 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 22.8 t70 -121.19 134.88 55.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.14 -1.391 . . . . 1.57 107.709 162.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -66.26 -30.31 70.72 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.934 0.346 . . . . 3.5 111.934 -174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -81.1 -49.47 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.828 0.347 . . . . 3.83 110.46 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 12.7 tp -57.43 -47.6 81.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.82 -0.627 . . . . 2.15 111.653 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.5 mt -57.07 -40.86 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.549 0.214 . . . . 1.31 110.925 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 39.5 mt-10 -65.89 -54.97 19.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.818 -0.353 . . . . 2.15 111.178 178.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.61 -39.71 85.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.66 0.266 . . . . 2.05 111.062 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.59 89.63 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.153 -0.476 . . . . 1.19 110.689 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 40.5 ttt180 -67.33 -43.9 80.44 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.498 -0.319 . . . . 3.54 110.741 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.7 mttm -54.84 -42.14 71.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.473 0.178 . . . . 2.36 111.332 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.8 mmt -61.64 -55.77 27.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.78 0.324 . . . . 2.32 110.579 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . . . -67.81 -29.54 68.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.957 -0.565 . . . . 1.25 111.729 -177.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 7.0 tp10 -63.04 -48.16 79.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.344 0.592 . . . . 2.41 109.56 -178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 5.2 mptp? -77.57 -24.93 49.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.47 -0.786 . . . . 4.01 110.912 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.46 -2.68 57.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 1.25 111.24 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 61.38 40.32 14.24 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.272 -0.876 . . . . 2.78 110.914 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.484 HD13 ' OG ' ' A' ' 122' ' ' SER . 29.8 mt -94.86 166.86 11.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.728 -0.669 . . . . 1.32 109.404 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.454 HD13 ' CE2' ' A' ' 24' ' ' PHE . 59.8 mt -101.46 95.05 3.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.142 0.496 . . . . 1.3 110.01 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 55.1 tp -87.94 135.06 33.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.513 -0.767 . . . . 1.77 110.269 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.8 mt -126.95 106.26 15.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.378 -0.373 . . . . 1.59 110.02 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.3 p -72.71 121.85 20.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.054 -0.521 . . . . 1.72 110.807 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 63.9 t -140.54 138.83 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.875 0.369 . . . . 1.96 111.241 -175.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -131.78 92.99 0.29 Allowed Glycine 0 N--CA 1.439 -1.165 0 C-N-CA 119.412 -1.375 . . . . 1.24 111.289 167.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 24.1 t70 164.95 150.57 0.02 OUTLIER 'General case' 0 C--O 1.232 0.178 0 C-N-CA 123.831 0.852 . . . . 1.98 109.154 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -63.77 -45.77 88.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.047 0.451 . . . . 2.21 112.022 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 44.8 mt-10 -83.51 -29.85 27.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.165 -0.47 . . . . 2.04 111.013 -174.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 36.1 mt-10 -65.09 -29.15 70.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.614 -0.434 . . . . 2.16 109.988 174.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.448 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.5 tp -58.07 -45.11 87.66 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.185 -0.672 . . . . 1.39 109.185 172.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -62.14 -25.59 67.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 2.76 111.323 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.67 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 30.9 mmtp -83.16 -38.51 22.26 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.542 -0.754 . . . . 2.81 110.442 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.26 -36.39 79.35 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.39 -0.596 . . . . 1.17 109.39 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 58' ' ' LEU . 85.8 mt -61.68 -49.79 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.379 -0.828 . . . . 1.48 110.493 174.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.59 -34.7 77.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 3.28 110.516 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.529 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.6 tttp -66.62 -48.9 68.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 2.74 110.305 177.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.03 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.149 0.499 . . . . 1.12 110.584 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.21 -36.42 75.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.341 -0.845 . . . . 1.36 110.446 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.499 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 18.2 t70 -70.16 -48.22 58.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.947 -0.569 . . . . 1.68 110.705 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 64' ' ' LYS . 70.2 mt -56.62 -44.86 81.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.771 -0.65 . . . . 1.27 110.967 -178.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.5 -56.64 8.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.696 -0.684 . . . . 1.18 111.879 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.24 -31.22 68.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.798 1.036 . . . . 2.02 113.798 -170.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 52.2 mtmt . . . . . 0 C--N 1.319 -0.73 0 C-N-CA 120.249 -0.581 . . . . 3.27 110.078 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 109.902 -0.407 . . . . 1.35 109.902 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 48.8 mttp -102.57 119.72 39.31 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.557 -0.534 . . . . 2.24 109.557 176.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 103' ' ' VAL . 58.2 mt -115.55 131.43 67.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.895 -0.593 . . . . 1.23 109.686 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 38.4 tp -108.1 120.85 43.51 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.595 -0.521 . . . . 1.98 109.595 176.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.1 mt -104.94 99.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.233 0.54 . . . . 1.2 109.877 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.751 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.9 tm? -91.82 133.04 36.0 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.681 -0.859 . . . . 2.19 108.681 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -162.02 170.62 18.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.061 0.457 . . . . 1.82 111.603 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -112.43 103.35 11.45 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.038 -1.097 . . . . 2.04 108.038 168.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -173.63 141.05 0.86 Allowed Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.549 -0.751 . . . . 2.58 109.231 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.3 117.39 4.53 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.394 1.396 . . . . 1.08 110.383 170.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.75 128.53 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.442 0.639 . . . . 1.8 112.043 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -100.94 154.23 37.27 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.337 -0.847 . . . . 1.62 109.982 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.562 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 89.2 Cg_exo -42.61 -42.27 8.36 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.219 2.613 . . . . 1.38 113.479 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.8 -41.24 32.0 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.18 0.592 . . . . 2.43 111.656 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -73.05 -37.67 66.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 4.04 110.798 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.99 -45.62 88.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.033 -0.531 . . . . 1.46 110.055 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 13.3 mmmm -66.15 -34.72 78.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.481 -0.782 . . . . 3.58 109.507 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.22 -50.3 74.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.869 -0.605 . . . . 2.86 110.431 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -70.77 -34.29 71.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.903 -0.59 . . . . 1.77 110.36 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.46 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.631 -0.713 . . . . 2.77 110.055 177.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 94.5 mttt -73.6 -30.28 62.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.512 -0.313 . . . . 3.34 111.776 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -72.88 -50.36 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.693 0.283 . . . . 3.82 111.296 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.435 ' HB1' ' CG2' ' A' ' 62' ' ' ILE . . . -95.37 146.12 24.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.698 -0.482 . . . . 1.19 109.698 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -88.88 99.81 12.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.422 -0.955 . . . . 1.77 108.422 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 77' ' ' ALA . . . -175.32 -172.66 0.59 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.306 -1.315 . . . . 1.2 108.878 -173.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.49 88.62 2.96 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.993 -0.743 . . . . 1.77 108.993 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.9 p -84.41 144.9 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.441 -0.8 . . . . 1.66 110.544 -175.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -121.76 108.49 13.56 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.001 -1.0 . . . . 3.21 108.764 175.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.8 m -84.96 130.61 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 C-N-CA 119.862 -0.735 . . . . 1.33 109.241 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 106' ' ' ARG . 17.8 mmm180 -128.67 120.23 26.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.137 0.494 . . . . 3.2 111.196 -176.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 15.1 t -97.43 138.81 34.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.625 -0.716 . . . . 1.25 109.879 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.41 162.79 36.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.779 0.323 . . . . 1.93 111.192 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.8 p -124.74 -2.17 7.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 1.68 111.273 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.7 m -152.52 149.37 22.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.09 110.813 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.543 ' HA ' HD13 ' A' ' 34' ' ' LEU . 80.7 Cg_exo -47.02 -47.79 15.94 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.158 2.572 . . . . 0.7 113.336 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.74 -40.54 69.41 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.496 -0.775 . . . . 2.04 112.465 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.8 -49.39 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.998 0.428 . . . . 2.21 111.002 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.25 84.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.688 -0.687 . . . . 1.27 111.827 -174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -66.05 -28.39 68.81 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.711 -0.396 . . . . 1.97 110.541 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.4 -49.68 66.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.457 -0.338 . . . . 4.92 110.422 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -62.33 -43.74 98.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 1.18 110.493 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.15 -38.66 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 1.21 110.651 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.23 -48.67 74.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 3.07 110.476 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -64.19 -38.13 89.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 2.48 110.723 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.79 -25.39 68.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 2.33 110.796 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.484 ' OG ' HD13 ' A' ' 47' ' ' LEU . 16.6 m -95.49 -6.29 40.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.849 -0.614 . . . . 1.88 110.646 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.418 0.628 . . . . 2.53 110.033 -176.361 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.337 -0.246 . . . . 2.65 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 m -81.96 133.17 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.498 -0.481 . . . . 1.23 109.878 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.97 124.95 53.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.919 0.39 . . . . 1.11 110.829 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.447 ' CZ ' ' HB ' ' A' ' 68' ' ' ILE . 81.3 m-85 -119.24 164.08 16.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.121 -0.49 . . . . 2.21 110.566 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.7 p -149.77 114.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.519 0.676 . . . . 1.71 110.802 174.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.527 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.7 mm? -92.88 157.28 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.327 -0.99 . . . . 1.75 108.327 173.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.609 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.1 tt -149.97 115.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.155 -0.618 . . . . 1.27 112.381 -174.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mp -106.48 77.58 1.21 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 108.751 -0.833 . . . . 1.88 108.751 165.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -149.73 87.08 1.47 Allowed 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 107.223 -1.399 . . . . 1.57 107.223 168.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -93.41 91.28 7.09 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.922 -1.111 . . . . 3.28 111.554 -170.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.442 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 23.4 t70 -117.72 142.38 47.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.027 -0.988 . . . . 1.57 109.261 165.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -57.89 -53.96 52.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 118.388 0.54 . . . . 3.5 111.269 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -69.14 -43.68 73.86 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.08 -0.509 . . . . 3.83 110.849 -175.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -57.36 -53.86 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.784 -0.644 . . . . 2.15 110.594 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.9 mt -51.52 -32.86 14.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.025 0.441 . . . . 1.31 111.213 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.6 mt-10 -77.06 -47.16 21.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.287 -0.415 . . . . 2.15 110.996 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.63 -37.55 86.76 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.059 0.457 . . . . 2.05 110.552 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.5 74.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 1.19 110.755 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 49.0 ttp180 -66.31 -46.32 77.31 Favored 'General case' 0 C--O 1.21 -1.009 0 C-N-CA 120.758 -0.377 . . . . 3.54 111.571 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 94.7 mttt -61.37 -30.18 70.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.883 0.373 . . . . 2.36 111.018 -176.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.7 tpt -76.08 -51.19 12.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.127 -0.488 . . . . 2.32 110.769 175.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.61 -28.67 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.348 -0.387 . . . . 1.25 111.805 -176.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 7.5 tp10 -62.49 -47.29 84.62 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.08 -0.711 . . . . 2.41 109.08 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -68.32 -25.1 64.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.019 -0.992 . . . . 4.01 111.3 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.08 1.76 34.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.087 -0.506 . . . . 1.25 110.926 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 62.86 29.89 16.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.486 -0.779 . . . . 2.78 110.907 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.4 mt -93.87 128.92 40.4 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.098 -0.705 . . . . 1.32 109.098 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.92 98.85 2.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.159 0.504 . . . . 1.3 109.871 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.3 tp -84.53 131.69 34.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.467 -0.788 . . . . 1.77 110.463 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.527 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 65.3 mt -125.92 106.09 15.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.477 -0.564 . . . . 1.59 109.477 175.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 p -68.88 131.54 45.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.147 -0.479 . . . . 1.72 110.851 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.46 133.04 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.902 -0.59 . . . . 1.96 109.921 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -128.93 93.61 0.34 Allowed Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 119.252 -1.452 . . . . 1.24 112.507 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 24.2 t70 161.41 141.02 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.815 1.246 . . . . 1.98 107.65 174.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -70.64 -31.9 69.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.393 . . . . 2.21 110.856 -173.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.96 -39.63 49.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.142 -0.481 . . . . 2.04 109.822 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 14.1 mm-40 -73.48 -20.95 60.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.827 -0.624 . . . . 2.16 110.994 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.559 ' O ' HG13 ' A' ' 62' ' ' ILE . 56.3 tp -61.15 -42.38 98.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.468 -0.567 . . . . 1.39 109.468 172.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -63.31 -27.29 69.22 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.543 0.687 . . . . 2.76 110.802 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -76.85 -43.02 37.79 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.656 -1.156 . . . . 2.81 110.506 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.68 87.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 1.17 110.954 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 58' ' ' LEU . 61.5 mt -60.43 -43.15 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.09 0.471 . . . . 1.48 110.317 176.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.44 -39.35 94.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.787 -0.642 . . . . 3.28 110.542 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -61.05 -39.27 89.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.639 -0.71 . . . . 2.74 110.168 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.46 78.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.666 -0.697 . . . . 1.12 110.732 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -53.59 -43.03 68.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.162 0.506 . . . . 1.36 110.741 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.41 -39.68 88.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.229 -0.896 . . . . 1.68 111.431 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.447 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 63.9 mt -76.23 -44.3 36.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.348 . . . . 1.27 110.363 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.79 -53.88 46.15 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.818 -0.628 . . . . 1.18 111.493 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -68.92 -29.61 67.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.223 -0.899 . . . . 2.02 112.09 -174.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 tttm . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.13 -0.486 . . . . 3.27 110.774 -178.086 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 109.891 -0.411 . . . . 1.35 109.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -119.51 127.1 52.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.075 0.464 . . . . 2.24 109.996 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -128.67 145.4 35.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.85 -0.614 . . . . 1.23 110.473 -173.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.9 tt -110.1 133.58 53.06 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.34 -0.985 . . . . 1.98 108.34 173.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.484 ' N ' HD22 ' A' ' 80' ' ' LEU . 82.6 mt -116.17 103.38 15.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.429 -0.582 . . . . 1.2 109.429 172.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.609 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 20.1 tp -101.71 107.46 18.69 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.63 -0.714 . . . . 2.19 110.023 -174.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -134.97 164.42 27.64 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.99 0.424 . . . . 1.82 111.962 -174.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 44.0 tt0 -103.2 103.14 13.16 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.19 -1.041 . . . . 2.04 108.19 169.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 57.9 mttm -170.12 162.71 6.47 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.586 -0.734 . . . . 2.58 109.762 -174.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -84.83 118.68 2.11 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.592 2.195 . . . . 1.08 110.638 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -117.75 122.49 69.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.775 -0.648 . . . . 1.8 111.266 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.1 m -100.52 156.72 34.89 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 115.919 -0.582 . . . . 1.62 109.678 173.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -44.98 -38.91 13.99 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.877 2.385 . . . . 1.38 113.239 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.61 -25.25 65.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 2.43 111.926 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.446 ' O ' ' HB3' ' A' ' 94' ' ' LYS . 42.0 t80 -76.37 -36.56 58.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.928 -0.397 . . . . 4.04 109.928 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.99 -47.98 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 1.46 110.183 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -70.15 -23.65 63.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 3.58 110.032 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 91' ' ' TYR . 5.1 tppp? -64.9 -51.93 59.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.249 -0.432 . . . . 2.86 109.892 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.5 -32.64 66.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.041 -0.527 . . . . 1.77 110.732 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.6 tm0? -69.23 -22.56 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 2.77 109.6 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -80.28 -28.11 38.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 3.34 111.485 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -71.87 -30.73 65.72 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.013 0.375 . . . . 3.82 112.013 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.59 142.45 51.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.714 -0.221 . . . . 1.19 110.471 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -79.16 99.75 7.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.636 0.731 . . . . 1.77 109.167 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.46 -175.06 0.63 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.425 -1.261 . . . . 1.2 108.977 -177.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 8.4 pt-20 -120.11 98.46 6.09 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.765 0.793 . . . . 1.77 108.941 168.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.5 p -95.54 141.34 15.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.512 -0.767 . . . . 1.66 110.861 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -109.5 98.7 8.04 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.546 -0.909 . . . . 3.21 108.546 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.6 m -85.34 123.57 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.626 -0.429 . . . . 1.33 110.01 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -124.5 144.7 49.96 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.192 -0.318 . . . . 3.2 110.313 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.504 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 14.7 t -110.25 142.41 41.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.728 0.299 . . . . 1.25 110.533 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.3 m -135.5 151.7 30.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.87 0.367 . . . . 1.93 111.237 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.8 p -123.73 -14.74 7.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 1.68 111.194 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.6 m -137.26 143.12 40.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.935 -0.575 . . . . 1.09 110.055 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -52.94 -30.78 49.79 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.966 3.111 . . . . 0.7 114.562 -176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -75.67 -27.74 58.44 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.819 -0.352 . . . . 2.04 111.444 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.45 -33.78 75.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.746 -0.464 . . . . 2.21 109.746 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -57.09 -52.08 66.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.495 -0.775 . . . . 1.27 110.596 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -62.81 -30.49 71.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 1.97 110.994 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -67.0 -44.09 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 4.92 110.514 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -70.48 -33.52 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 1.18 110.77 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 114' ' ' ALA . 91.0 mt -60.35 -47.27 93.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 1.21 110.649 177.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.19 -36.17 79.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 3.07 110.747 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -64.82 -52.74 55.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 2.48 110.307 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.48 -39.67 85.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 2.33 111.78 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.4 p -75.09 -18.12 60.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.739 0.304 . . . . 1.88 111.482 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.445 -0.343 . . . . 2.53 110.717 -179.288 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.724 0.297 . . . . 2.65 110.481 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.407 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 25.0 m -130.45 144.09 51.18 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.37 -0.604 . . . . 1.23 109.37 176.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.5 mt -105.12 107.51 18.54 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.391 0.615 . . . . 1.11 110.347 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CE2' HD12 ' A' ' 48' ' ' ILE . 65.5 m-85 -98.31 145.04 27.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.467 -0.788 . . . . 2.21 109.609 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.9 p -138.06 123.34 24.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.497 0.665 . . . . 1.71 110.822 176.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -110.1 160.63 16.3 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.855 -1.165 . . . . 1.75 107.855 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tt -150.19 112.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 C-N-CA 120.537 -0.465 . . . . 1.27 111.182 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 52' ' ' VAL . 1.5 tp -96.79 77.97 2.86 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.29 -1.004 . . . . 1.88 108.29 172.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -150.44 89.94 1.61 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.725 -1.125 . . . . 1.57 109.694 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.09 87.2 5.47 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.721 -1.191 . . . . 3.28 110.57 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 30.6 t70 -119.42 163.6 16.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.295 -1.32 . . . . 1.57 108.23 169.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -88.69 -32.62 17.9 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.865 -0.734 . . . . 3.5 110.901 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -90.42 -42.58 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.695 0.283 . . . . 3.83 110.829 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 111' ' ' PRO . 1.5 tt -56.87 -47.92 79.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.873 -0.603 . . . . 2.15 110.077 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -59.35 -44.73 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.544 . . . . 1.31 111.079 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 6.8 mm-40 -61.89 -54.09 46.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.596 -0.274 . . . . 2.15 111.649 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -63.49 -33.15 74.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.64 0.257 . . . . 2.05 111.437 -177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -45.61 70.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.72 0.295 . . . . 1.19 110.761 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -67.18 -39.25 86.4 Favored 'General case' 0 C--O 1.214 -0.767 0 C-N-CA 120.665 -0.414 . . . . 3.54 111.073 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.4 mttm -55.68 -36.17 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.859 0.361 . . . . 2.36 110.998 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -53.11 8.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.299 -0.41 . . . . 2.32 111.35 176.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.18 79.41 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.381 0.511 . . . . 1.25 112.381 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.33 -43.53 90.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.22 0.533 . . . . 2.41 109.692 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -72.06 -27.97 63.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.725 -0.67 . . . . 4.01 110.355 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.7 -0.69 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.64 -0.709 . . . . 1.25 110.859 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 m120 62.53 35.6 14.46 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.487 -0.779 . . . . 2.78 111.017 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 mt -92.7 154.11 18.53 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.456 -0.572 . . . . 1.32 109.456 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.419 HD12 ' CE2' ' A' ' 24' ' ' PHE . 42.7 mt -90.75 94.93 5.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.531 -0.544 . . . . 1.3 109.531 175.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 51.8 tp -87.37 118.37 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.353 -0.84 . . . . 1.77 110.832 -178.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.5 mt -110.12 100.0 9.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.188 -0.671 . . . . 1.59 109.188 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.6 m -82.71 117.37 22.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.875 -0.602 . . . . 1.72 110.913 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 3.1 m -136.08 141.42 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.732 -0.667 . . . . 1.96 110.092 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.545 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -126.83 94.2 0.41 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 119.626 -1.273 . . . . 1.24 111.947 175.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.545 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 22.4 t70 156.24 150.96 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.694 1.197 . . . . 1.98 108.436 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.75 -36.16 82.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.751 0.31 . . . . 2.21 110.996 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -80.07 -29.08 39.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.858 0.361 . . . . 2.04 110.338 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 27.7 mm-40 -64.92 -35.67 81.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.928 -0.578 . . . . 2.16 110.136 174.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.66 -35.8 81.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.288 -0.415 . . . . 1.39 110.187 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -57.41 -28.13 62.99 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.143 0.497 . . . . 2.76 111.377 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -90.2 -40.56 12.12 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.626 -0.715 . . . . 2.81 110.914 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.38 86.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.106 0.479 . . . . 1.17 110.313 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.7 mt -59.57 -47.84 89.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.48 -0.782 . . . . 1.48 110.931 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -68.11 -33.9 75.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.134 -0.484 . . . . 3.28 111.309 -175.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.1 ttpp -72.9 -38.53 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 2.74 110.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.6 91.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.087 0.47 . . . . 1.12 110.424 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.54 -44.3 80.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.345 -0.843 . . . . 1.36 111.042 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.01 -43.76 82.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.554 -0.748 . . . . 1.68 111.692 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 64' ' ' LYS . 61.3 mt -63.49 -40.21 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.009 0.433 . . . . 1.27 110.975 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.36 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.677 -0.692 . . . . 1.18 112.015 -174.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -72.63 -9.8 59.03 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.44 0.533 . . . . 2.02 112.44 -172.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.9 tttt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 123.668 0.605 . . . . 3.27 110.925 178.005 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.359 0 CA-C-O 120.932 0.396 . . . . 1.35 110.862 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -120.69 125.24 47.17 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.057 -0.72 . . . . 2.24 109.057 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 49.1 mt -120.59 146.67 25.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.086 -0.507 . . . . 1.23 110.008 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.4 tt -120.0 129.52 54.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.624 -0.88 . . . . 1.98 108.624 175.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.41 ' N ' HD22 ' A' ' 80' ' ' LEU . 96.8 mt -117.78 113.27 41.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.831 0.348 . . . . 1.2 110.091 174.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.411 HD22 ' HB2' ' A' ' 106' ' ' ARG . 69.0 mt -92.51 101.41 13.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.875 -0.602 . . . . 2.19 109.56 176.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.5 pt? -123.44 139.2 54.26 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.912 -0.315 . . . . 1.82 111.021 -175.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -94.86 98.59 10.84 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 119.643 -0.823 . . . . 2.04 109.285 173.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -176.53 168.79 1.31 Allowed Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 114.765 -1.107 . . . . 2.58 108.028 170.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -76.45 122.67 6.63 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.062 1.841 . . . . 1.08 110.917 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.1 t -105.03 120.13 55.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.605 -0.725 . . . . 1.8 110.817 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.4 m -91.5 158.7 40.27 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.15 -0.477 . . . . 1.62 110.055 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -49.7 -49.59 15.45 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.732 2.288 . . . . 1.38 112.459 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 4.8 mp0 -58.33 -38.81 77.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.954 -0.567 . . . . 2.43 111.395 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.45 -40.53 87.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.389 . . . . 4.04 110.166 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.82 -55.74 31.18 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.754 -0.657 . . . . 1.46 110.969 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.424 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 19.9 ptmt -70.26 -17.76 63.12 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.744 -0.662 . . . . 3.58 111.643 -174.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 34.4 mmtp -66.46 -48.61 69.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.157 0.503 . . . . 2.86 109.72 172.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.4 mt -72.38 -36.53 68.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 1.77 110.118 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 28.9 tt0 -69.98 -27.98 65.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.319 -0.855 . . . . 2.77 110.736 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -82.14 -30.75 30.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 3.34 111.027 174.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.56 -50.02 75.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.094 -0.503 . . . . 3.82 110.27 -177.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.52 121.95 46.04 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.933 -0.765 . . . . 1.19 108.933 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.83 101.15 3.66 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.525 -0.87 . . . . 1.77 109.291 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.82 -168.16 0.34 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.047 -1.433 . . . . 1.2 108.423 -176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -114.69 89.93 3.22 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.69 -0.485 . . . . 1.77 109.69 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 9.0 p -87.86 131.92 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.335 0.588 . . . . 1.66 110.301 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -104.62 99.29 8.96 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.715 -0.846 . . . . 3.21 108.715 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.8 m -77.56 130.05 36.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.166 0.507 . . . . 1.33 110.058 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.411 ' HB2' HD22 ' A' ' 82' ' ' LEU . 35.6 mmt180 -127.18 126.66 43.21 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.256 -0.429 . . . . 3.2 110.809 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 10.1 t -86.62 127.07 34.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 1.25 109.918 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.1 m -127.84 156.94 40.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.235 -0.438 . . . . 1.93 110.567 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 -20.49 1.87 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.281 -0.418 . . . . 1.68 110.866 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.5 m -143.71 147.91 40.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.605 -0.27 . . . . 1.09 111.481 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.419 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 74.3 Cg_exo -46.41 -44.49 20.54 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.552 2.834 . . . . 0.7 114.272 -173.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.545 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -59.08 -31.68 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.425 0.528 . . . . 2.04 112.425 -174.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.39 -45.95 74.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.046 0.451 . . . . 2.21 109.943 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' HB3' HD11 ' A' ' 82' ' ' LEU . . . -58.76 -43.91 90.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.418 -0.81 . . . . 1.27 111.301 -178.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.545 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 55.5 mtmt -59.31 -35.01 73.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 1.97 111.18 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 112' ' ' ASP . 96.3 mtt180 -67.32 -47.03 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 4.92 110.853 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -63.71 -42.92 97.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 1.18 110.826 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.35 -42.79 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.446 . . . . 1.21 110.471 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.8 -47.2 86.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.728 -0.669 . . . . 3.07 110.914 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.28 -35.38 73.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.731 0.301 . . . . 2.48 111.338 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -68.42 -26.19 65.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 2.33 111.324 -176.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.7 t -78.03 -2.99 39.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.836 0.35 . . . . 1.88 110.473 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 2.53 110.998 -179.781 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.829 0.347 . . . . 2.65 110.643 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 m -91.2 147.64 22.92 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.954 -0.758 . . . . 1.23 108.954 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 121' ' ' PHE . 60.2 mt -109.43 118.6 37.06 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.351 0.596 . . . . 1.11 111.569 -173.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 79' ' ' ILE . 49.7 m-85 -112.57 145.83 39.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.346 -0.843 . . . . 2.21 109.607 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 p -145.16 130.52 13.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-O 121.635 0.731 . . . . 1.71 111.192 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.87 159.78 15.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.644 -1.162 . . . . 1.75 109.508 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.9 tt -141.92 119.84 8.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.011 0.434 . . . . 1.27 110.815 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -118.63 77.47 1.18 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.328 -0.99 . . . . 1.88 108.328 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -149.12 88.94 1.62 Allowed 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.254 -1.387 . . . . 1.57 107.254 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -85.48 89.24 7.64 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 118.172 -1.411 . . . . 3.28 111.045 -169.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.603 ' OD2' ' HG2' ' A' ' 33' ' ' LYS . 6.0 t70 -117.42 138.79 51.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.667 -1.151 . . . . 1.57 108.152 162.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -54.76 -47.49 73.81 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.528 0.566 . . . . 3.5 112.528 -172.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.603 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 63.2 pttt -78.43 -31.15 47.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.922 0.391 . . . . 3.83 110.679 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 111' ' ' PRO . 12.2 tp -66.32 -42.44 88.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.344 -0.389 . . . . 2.15 110.623 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.53 -40.49 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 1.31 111.579 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.6 pt-20 -77.2 -44.7 29.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.44 -0.504 . . . . 2.15 111.194 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.615 ' HA ' ' CG ' ' A' ' 40' ' ' LYS . 37.3 mm-40 -65.82 -30.34 70.95 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.945 0.35 . . . . 2.05 111.945 -176.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.63 96.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.945 0.402 . . . . 1.19 110.005 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -74.33 -34.56 63.47 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.271 -0.422 . . . . 3.54 110.685 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 33.0 mmtp -52.68 -42.76 65.05 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.533 0.682 . . . . 2.36 109.383 176.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 tpt -72.26 -52.5 16.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.802 -1.09 . . . . 2.32 111.492 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.28 -37.11 53.59 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.624 0.602 . . . . 1.25 112.624 -172.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.24 -46.6 86.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.272 0.558 . . . . 2.41 109.562 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -65.82 -28.87 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.5 -0.773 . . . . 4.01 110.249 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.18 -0.28 39.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 1.25 111.122 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 67.36 34.3 4.87 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.723 -0.672 . . . . 2.78 111.258 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -102.16 166.06 10.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.985 -0.746 . . . . 1.32 108.985 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -98.62 96.72 5.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.171 0.51 . . . . 1.3 109.752 174.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.407 ' CD1' HG21 ' A' ' 51' ' ' THR . 3.3 tm? -87.03 123.09 31.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.4 -0.818 . . . . 1.77 109.501 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.8 mt -113.71 114.53 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 1.59 110.57 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.407 HG21 ' CD1' ' A' ' 49' ' ' LEU . 7.6 p -93.99 125.83 38.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.193 -0.458 . . . . 1.72 111.091 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.6 m -134.52 146.82 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.42 -0.355 . . . . 1.96 110.508 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -122.57 94.48 0.52 Allowed Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.959 -1.115 . . . . 1.24 111.619 173.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.512 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 15.7 t70 140.78 141.82 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.207 1.803 . . . . 1.98 107.505 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -72.39 -22.14 61.17 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.877 0.37 . . . . 2.21 111.149 -173.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 10.5 mm-40 -83.74 -27.81 28.65 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.713 -0.477 . . . . 2.04 109.713 177.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -31.49 70.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 2.16 109.885 170.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.545 ' O ' HG13 ' A' ' 62' ' ' ILE . 23.9 tp -61.07 -40.37 93.42 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.937 -0.574 . . . . 1.39 109.591 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 43.1 mmtm -56.96 -33.16 66.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.466 0.651 . . . . 2.76 110.714 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -79.69 -39.15 31.93 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.931 -1.032 . . . . 2.81 110.624 -176.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.02 81.25 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.997 -0.547 . . . . 1.17 110.106 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 58' ' ' LEU . 98.8 mt -60.36 -52.68 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 1.48 110.624 176.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 62.4 tttm -69.76 -32.19 70.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.495 -0.32 . . . . 3.28 110.633 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 68' ' ' ILE . 38.9 ttpt -64.62 -41.26 96.31 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.164 -0.31 . . . . 2.74 110.164 177.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.29 98.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.918 0.39 . . . . 1.12 109.975 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 9.0 t70 -54.81 -52.94 61.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.362 -0.836 . . . . 1.36 110.474 174.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.77 -47.63 84.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.578 -0.737 . . . . 1.68 112.105 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 64' ' ' LYS . 75.3 mt -66.97 -36.05 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.82 0.343 . . . . 1.27 111.128 -177.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.04 -63.62 1.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 1.18 111.767 -176.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 14.3 ptpt -69.75 -10.81 59.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.651 0.611 . . . . 2.02 112.651 -173.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 123.931 0.77 . . . . 3.27 110.406 -177.541 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 121.132 0.492 . . . . 1.35 111.846 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -106.07 122.94 47.2 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.206 -1.035 . . . . 2.24 108.206 169.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 41.8 mt -127.62 134.16 66.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 110.127 -0.323 . . . . 1.23 110.127 -177.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.442 HD12 ' CG ' ' A' ' 121' ' ' PHE . 7.4 mp -109.91 139.79 44.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.799 0.333 . . . . 1.98 110.287 171.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.409 HG21 HD21 ' A' ' 83' ' ' LEU . 82.5 mt -116.82 106.22 19.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 108.677 -0.86 . . . . 1.2 108.677 172.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -91.0 98.71 11.94 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.604 -0.517 . . . . 2.19 109.604 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.563 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.5 pt? -128.13 147.22 50.54 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.177 -0.465 . . . . 1.82 110.756 -174.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -97.86 98.53 9.9 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 119.604 -0.838 . . . . 2.04 109.829 174.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -174.62 163.94 2.52 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 114.63 -1.168 . . . . 2.58 108.851 170.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.84 119.42 6.45 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.215 1.943 . . . . 1.08 111.23 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.07 120.37 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 1.8 111.47 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -88.5 153.07 50.39 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.529 -0.76 . . . . 1.62 109.911 176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.44 -30.12 62.3 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.317 2.011 . . . . 1.38 111.355 171.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -68.06 -40.31 82.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.578 -0.737 . . . . 2.43 109.654 175.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -67.63 -39.51 84.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.173 -0.921 . . . . 4.04 109.868 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.2 -38.04 75.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.843 -0.617 . . . . 1.46 110.728 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -59.59 -29.4 67.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.374 -0.376 . . . . 3.58 111.293 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -64.18 -46.04 85.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.066 0.46 . . . . 2.86 110.214 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.5 -33.36 36.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.947 -0.57 . . . . 1.77 110.589 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -68.85 -30.8 69.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.569 . . . . 2.77 110.272 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -81.7 -26.18 34.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.09 -0.504 . . . . 3.34 110.822 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -68.31 -50.7 51.66 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.34 0.59 . . . . 3.82 110.273 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.14 119.31 39.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.405 -0.961 . . . . 1.19 108.405 173.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -76.14 103.03 5.98 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 122.024 0.916 . . . . 1.77 110.077 -173.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -173.77 -168.31 0.42 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 113.481 -1.691 . . . . 1.2 106.954 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -109.38 89.11 2.9 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 109.183 -0.673 . . . . 1.77 109.183 172.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.607 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.8 p -87.4 137.33 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.411 0.624 . . . . 1.66 109.713 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -120.75 99.38 6.5 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.171 -0.922 . . . . 3.21 108.623 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.52 128.17 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 109.61 -0.515 . . . . 1.33 109.61 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 106' ' ' ARG . 4.4 mmp_? -117.12 117.23 29.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.417 -0.356 . . . . 3.2 110.177 -176.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 3.9 t -85.36 99.54 11.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.739 0.78 . . . . 1.25 110.191 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.57 151.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.483 -0.781 . . . . 1.93 111.082 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -133.59 3.55 3.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.374 0.607 . . . . 1.68 110.309 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.0 m -155.36 148.71 18.48 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.753 -0.658 . . . . 1.09 109.462 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.524 ' HA ' HD12 ' A' ' 34' ' ' LEU . 23.0 Cg_exo -64.97 -25.3 59.53 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.018 2.478 . . . . 0.7 113.323 -175.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -78.28 -31.49 49.01 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.99 -0.284 . . . . 2.04 111.243 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.69 -42.94 98.15 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.773 -0.455 . . . . 2.21 109.773 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.58 -51.67 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.426 -0.806 . . . . 1.27 111.134 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.16 -36.61 82.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.986 -0.552 . . . . 1.97 110.809 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -68.33 -41.52 80.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 4.92 111.194 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -67.65 -40.85 84.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.677 0.275 . . . . 1.18 110.762 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.36 -39.8 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 1.21 109.961 174.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -58.95 -46.84 87.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.783 -0.644 . . . . 3.07 111.23 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -70.1 -27.5 64.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.238 0.542 . . . . 2.48 110.426 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 23' ' ' LEU . 11.2 t80 -75.86 -44.95 38.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.672 -0.695 . . . . 2.33 111.621 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.6 m -66.32 -26.53 67.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.25 -0.432 . . . . 1.88 111.787 -174.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.477 -0.329 . . . . 2.53 111.101 -176.099 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.698 0.285 . . . . 2.65 110.292 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -113.27 134.33 54.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.596 -0.274 . . . . 1.23 110.292 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HB2' HD23 ' A' ' 47' ' ' LEU . 86.4 mt -114.58 119.16 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.062 0.458 . . . . 1.11 110.616 -177.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 47.4 m-85 -104.31 152.27 22.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.075 -0.511 . . . . 2.21 110.163 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.6 p -142.09 122.81 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.661 0.743 . . . . 1.71 110.811 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.39 158.93 18.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.159 -0.928 . . . . 1.75 108.762 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.566 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.9 tt -150.51 112.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 C-N-CA 120.85 -0.34 . . . . 1.27 111.194 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.437 HD12 HD22 ' A' ' 58' ' ' LEU . 26.9 mt -92.99 79.38 4.61 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.416 -0.957 . . . . 1.88 108.416 173.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 m -150.28 138.86 20.64 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.058 -0.973 . . . . 1.57 109.721 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -119.17 86.11 2.49 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.453 -1.299 . . . . 3.28 109.743 165.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.3 t70 -120.19 141.38 49.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.602 -1.181 . . . . 1.57 109.311 168.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -60.8 -55.44 33.09 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 118.377 0.535 . . . . 3.5 111.673 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 87.8 tttt -70.58 -46.81 62.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.464 . . . . 3.83 111.417 -173.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 18.4 tp -57.15 -41.99 80.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 2.15 111.872 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mt -61.29 -33.35 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.875 0.369 . . . . 1.31 110.931 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 42.2 mt-10 -74.48 -47.79 31.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.364 -0.38 . . . . 2.15 110.067 174.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HG3' ' HB3' ' A' ' 111' ' ' PRO . 32.9 mm-40 -55.95 -41.0 74.03 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.247 -0.433 . . . . 2.05 111.336 -178.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.52 -47.77 84.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.866 -0.606 . . . . 1.19 110.91 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -69.88 -36.76 75.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.41 -0.359 . . . . 3.54 110.936 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.2 mttm -51.9 -40.46 60.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 2.36 110.873 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.2 mmm -83.9 -45.98 12.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 2.32 111.383 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.06 72.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.205 0.446 . . . . 1.25 112.205 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.52 -46.43 86.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.448 -0.945 . . . . 2.41 108.448 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.69 -35.09 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.095 -0.957 . . . . 4.01 110.788 177.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -79.89 -5.0 54.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.881 -0.6 . . . . 1.25 111.229 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 62.61 45.06 6.34 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.282 -0.872 . . . . 2.78 110.365 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HG ' ' HB1' ' A' ' 45' ' ' ALA . 19.1 mt -100.98 168.75 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.221 -0.899 . . . . 1.32 109.534 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.446 HD12 ' CE1' ' A' ' 24' ' ' PHE . 50.7 mt -100.82 104.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.872 -0.418 . . . . 1.3 109.872 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 41.1 tp -95.94 124.05 39.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.019 -0.537 . . . . 1.77 111.186 -176.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.49 109.9 27.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.477 -0.564 . . . . 1.59 109.477 173.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 m -89.66 101.1 13.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.06 -0.518 . . . . 1.72 110.948 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 m -122.78 141.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.954 -0.566 . . . . 1.96 110.255 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.592 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -120.53 96.17 0.6 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 119.874 -1.155 . . . . 1.24 112.219 177.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.592 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 16.4 t70 155.51 151.48 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.734 1.214 . . . . 1.98 108.417 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -71.81 -28.36 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 2.21 110.715 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 29.3 mm-40 -86.51 -34.41 20.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.897 -0.409 . . . . 2.04 109.897 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 22.1 mm-40 -64.13 -32.01 73.41 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.817 -0.438 . . . . 2.16 109.817 173.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.437 HD22 HD12 ' A' ' 28' ' ' LEU . 53.3 tp -55.58 -45.46 77.35 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.339 -0.615 . . . . 1.39 109.339 172.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.39 -18.13 64.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.528 -0.76 . . . . 2.76 111.85 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 64.5 mmtt -90.2 -37.03 14.42 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.781 -0.645 . . . . 2.81 110.439 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.81 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.098 -0.705 . . . . 1.17 109.098 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.405 HG23 ' HB2' ' A' ' 99' ' ' ALA . 40.5 mt -59.76 -41.87 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.924 -1.034 . . . . 1.48 110.554 173.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -60.13 -46.1 90.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 3.28 111.123 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.462 ' O ' HG13 ' A' ' 68' ' ' ILE . 18.3 ptpt -73.71 -33.93 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.923 -0.311 . . . . 2.74 110.87 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.77 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 1.12 110.429 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.475 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 1.4 t70 -59.47 -41.03 88.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.384 -0.826 . . . . 1.36 110.515 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.3 -49.79 65.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 1.68 111.656 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 64' ' ' LYS . 96.1 mt -60.51 -46.0 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 1.27 110.923 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.534 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -63.15 -56.74 14.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 1.18 111.635 -177.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.537 ' HD2' ' HB2' ' A' ' 100' ' ' ASP . 49.8 mtpt -76.73 -12.78 60.04 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 112.691 0.626 . . . . 2.02 112.691 -170.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? . . . . . 0 C--N 1.313 -0.987 0 N-CA-C 109.102 -0.703 . . . . 3.27 109.102 173.874 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.353 -0.239 . . . . 1.35 110.353 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.511 ' HE2' ' OE1' ' A' ' 102' ' ' GLU . 89.1 mttt -135.42 143.26 45.87 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.198 -0.297 . . . . 2.24 110.198 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.456 ' HB ' HG23 ' A' ' 103' ' ' VAL . 62.4 mt -131.09 117.82 38.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.299 -0.41 . . . . 1.23 110.138 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 104' ' ' ARG . 33.0 tp -95.3 112.49 24.19 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.87 -0.418 . . . . 1.98 109.87 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.432 ' HB ' HG12 ' A' ' 105' ' ' VAL . 73.2 mt -102.08 117.6 47.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.596 -0.441 . . . . 1.2 109.835 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 82.3 mt -101.43 119.34 38.61 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.681 -0.489 . . . . 2.19 109.681 175.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.64 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -139.98 138.95 35.93 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.421 -0.354 . . . . 1.82 110.178 -177.695 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -87.06 98.04 11.06 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.393 -0.923 . . . . 2.04 109.485 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -176.21 162.01 1.86 Allowed Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 114.658 -1.156 . . . . 2.58 108.021 168.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -63.3 119.29 6.3 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 121.3 1.334 . . . . 1.08 109.811 167.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 m -99.2 141.74 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.268 0.556 . . . . 1.8 111.629 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.9 m -95.03 127.48 42.67 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.424 -0.807 . . . . 1.62 109.694 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -58.33 -30.49 91.25 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.141 2.561 . . . . 1.38 112.834 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.07 -36.06 72.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.047 0.451 . . . . 2.43 110.288 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -67.25 -28.68 68.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.816 -0.629 . . . . 4.04 110.152 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.51 -38.65 91.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 1.46 110.44 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HZ2' ' HB3' ' A' ' 93' ' ' LYS . 2.8 mmmp? -72.48 -33.45 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.24 -0.652 . . . . 3.58 109.24 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.561 ' HE3' ' OH ' ' A' ' 98' ' ' TYR . 59.0 tttp -65.66 -33.67 76.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.19 -0.913 . . . . 2.86 109.932 176.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.456 ' CD1' HG13 ' A' ' 105' ' ' VAL . 78.7 mt -75.94 -42.91 47.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.77 111.633 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.523 HE21 ' C ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -77.06 -4.08 42.46 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.591 -0.843 . . . . 2.77 110.208 174.384 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -80.69 -28.74 36.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 3.34 110.159 169.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.561 ' OH ' ' HE3' ' A' ' 94' ' ' LYS . 19.5 m-85 -75.52 -51.08 13.78 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.178 0.513 . . . . 3.82 110.299 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 66' ' ' ASP . . . -108.68 131.8 54.56 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 115.717 -0.674 . . . . 1.19 109.468 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.537 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 13.2 m-20 -83.06 99.67 10.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.388 1.089 . . . . 1.77 109.553 -177.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -173.93 173.61 3.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 112.662 -2.063 . . . . 1.2 106.378 176.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.511 ' OE1' ' HE2' ' A' ' 78' ' ' LYS . 6.5 mt-10 -87.58 91.1 8.62 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 118.884 -1.127 . . . . 1.77 108.608 173.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.456 HG23 ' HB ' ' A' ' 79' ' ' ILE . 40.7 t -81.07 114.93 22.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.507 -0.769 . . . . 1.66 109.895 -178.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.461 ' O ' HD13 ' A' ' 80' ' ' LEU . 33.0 mtp180 -108.77 110.83 22.31 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.531 -0.914 . . . . 3.21 108.531 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 95' ' ' LEU . 5.1 m -106.01 126.38 61.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.41 0.624 . . . . 1.33 110.646 -172.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 106' ' ' ARG . 49.4 mmt-85 -125.29 147.95 48.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.857 -0.61 . . . . 3.2 110.96 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 14.5 t -86.42 136.48 33.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.746 -0.661 . . . . 1.25 110.168 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 p -127.05 109.26 20.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.234 0.54 . . . . 1.93 111.034 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -100.39 -17.99 16.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.046 -0.525 . . . . 1.68 111.397 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.7 m -138.34 151.61 69.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.446 . . . . 1.09 110.767 -177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.463 ' HA ' HD12 ' A' ' 34' ' ' LEU . 72.7 Cg_exo -49.21 -44.92 31.84 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.612 2.208 . . . . 0.7 112.413 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.511 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 14.5 t70 -59.37 -40.22 85.81 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.838 -0.619 . . . . 2.04 111.667 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -55.11 -44.61 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.347 0.404 . . . . 2.21 111.294 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.34 98.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 1.27 110.79 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -62.02 -30.79 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 1.97 110.734 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 112' ' ' ASP . 23.4 mmt180 -68.79 -54.57 15.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 4.92 110.656 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -63.44 -37.08 85.89 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.174 -0.467 . . . . 1.18 111.394 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.42 -41.86 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 1.21 110.489 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -60.73 -46.73 89.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 3.07 110.02 178.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.24 -45.05 96.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.666 -0.697 . . . . 2.48 110.588 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.75 -37.76 85.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.627 -0.715 . . . . 2.33 111.432 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.6 t -69.55 -20.84 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.238 -0.437 . . . . 1.88 110.966 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 119' ' ' LYS . 57.1 mm-40 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.316 . . . . 2.53 110.714 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.527 0.204 . . . . 2.65 110.591 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.4 m -125.46 146.95 49.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.144 -0.687 . . . . 1.23 109.144 172.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.426 ' CB ' HD21 ' A' ' 47' ' ' LEU . 84.5 mt -110.08 114.93 28.85 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.234 0.54 . . . . 1.11 111.075 -176.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.465 ' CE1' HD11 ' A' ' 48' ' ' ILE . 52.5 m-85 -111.17 157.94 19.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.65 -0.705 . . . . 2.21 109.712 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.6 p -148.17 120.12 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.506 0.669 . . . . 1.71 111.371 176.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -103.14 163.53 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.242 -0.89 . . . . 1.75 108.917 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.7 tt -149.9 126.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 121.153 -0.219 . . . . 1.27 111.576 -178.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD12 HD13 ' A' ' 58' ' ' LEU . 6.7 mp -112.89 80.46 1.35 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.319 0.581 . . . . 1.88 109.499 172.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -150.53 115.84 5.41 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.268 -1.012 . . . . 1.57 108.268 171.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.52 86.75 7.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 117.588 -1.645 . . . . 3.28 110.08 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.635 ' O ' HD13 ' A' ' 35' ' ' ILE . 22.8 t70 -120.75 163.84 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 113.985 -1.461 . . . . 1.57 108.206 166.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 43.2 mttm -91.29 -40.68 11.36 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.935 -0.706 . . . . 3.5 111.453 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -37.72 21.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.515 -0.311 . . . . 3.83 111.238 -174.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.04 -37.18 73.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.97 0.414 . . . . 2.15 110.039 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.635 HD13 ' O ' ' A' ' 31' ' ' ASP . 1.7 mp -64.98 -43.71 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.834 -0.621 . . . . 1.31 110.618 177.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 54.6 mt-10 -65.09 -49.02 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 2.15 110.573 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -54.98 -41.97 71.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 2.05 111.142 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.68 72.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.546 . . . . 1.19 111.028 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -72.46 -29.85 64.04 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 111.918 0.34 . . . . 3.54 111.918 -176.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 67.5 mttm -64.31 -32.7 74.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.918 -0.489 . . . . 2.36 110.658 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.2 mmt -81.63 -46.57 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 2.32 110.625 174.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -64.1 -39.45 94.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 1.25 112.084 -178.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.86 -43.18 98.71 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.34 0.59 . . . . 2.41 109.794 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.29 -35.3 79.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.185 -0.916 . . . . 4.01 110.226 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -82.21 0.75 39.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.986 -0.552 . . . . 1.25 111.721 -178.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.4 t30 64.81 36.41 7.95 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.583 0.706 . . . . 2.78 110.743 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.426 HD21 ' CB ' ' A' ' 23' ' ' LEU . 12.6 mt -99.87 168.61 9.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.791 -0.64 . . . . 1.32 109.964 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' A' ' 24' ' ' PHE . 44.3 mt -106.36 101.57 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.142 -0.481 . . . . 1.3 109.913 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.477 ' HA ' HG11 ' A' ' 25' ' ' VAL . 3.5 tm? -90.54 118.3 29.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.849 -0.614 . . . . 1.77 110.241 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.558 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 63.5 mt -121.39 120.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.164 -0.471 . . . . 1.59 110.343 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.2 p -82.53 130.75 35.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.088 -0.506 . . . . 1.72 110.108 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.72 157.08 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.222 0.534 . . . . 1.96 111.891 -173.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.1 -164.38 37.24 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.183 -0.917 . . . . 1.24 112.883 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -44.16 166.69 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.516 1.302 . . . . 1.98 114.516 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 58' ' ' LEU . 30.5 mt-10 -39.77 -45.35 1.73 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.157 1.169 . . . . 2.21 114.157 -173.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 8.1 mm-40 -64.64 -40.09 94.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.125 0.488 . . . . 2.04 111.108 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.29 -35.22 75.8 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.482 -0.562 . . . . 2.16 109.482 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.511 HD13 HD12 ' A' ' 28' ' ' LEU . 51.4 tp -57.97 -37.17 73.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.624 -0.716 . . . . 1.39 110.518 174.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 52.8 mttp -53.01 -36.69 60.77 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.602 0.715 . . . . 2.76 110.925 176.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.536 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 45.7 mttp -82.95 -35.3 26.12 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.961 -1.018 . . . . 2.81 111.058 -176.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.64 -38.09 80.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.165 0.507 . . . . 1.17 110.207 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.41 -42.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.488 -0.778 . . . . 1.48 110.207 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -69.78 -29.39 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 3.28 110.303 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 67.3 mttm -62.54 -51.78 66.02 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.852 -0.425 . . . . 2.74 109.852 172.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -47.3 86.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.808 -0.633 . . . . 1.12 110.891 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.631 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 6.4 t70 -59.1 -41.65 88.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.787 -0.642 . . . . 1.36 110.963 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.89 -45.25 86.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.525 -0.307 . . . . 1.68 111.181 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 64' ' ' LYS . 81.5 mt -62.34 -34.08 62.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.22 0.533 . . . . 1.27 110.082 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.1 -48.28 68.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.731 -0.668 . . . . 1.18 110.642 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 73.1 mmtt -52.4 -34.87 50.16 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 112.151 0.426 . . . . 2.02 112.151 -177.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HB3' ' HZ2' ' A' ' 71' ' ' LYS . 8.7 mtpm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 123.822 0.701 . . . . 3.27 109.84 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 110.048 -0.353 . . . . 1.35 110.048 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -126.86 136.79 52.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.949 0.404 . . . . 2.24 109.991 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 54.1 mt -127.63 141.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.078 -0.51 . . . . 1.23 110.046 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.2 tt -113.88 132.75 55.8 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.59 -0.892 . . . . 1.98 108.59 175.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.53 106.31 19.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.959 -0.386 . . . . 1.2 109.959 175.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.545 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 96.0 mt -92.06 98.48 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.102 0.477 . . . . 2.19 109.963 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.596 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -119.43 179.15 4.29 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 109.581 -0.525 . . . . 1.82 109.581 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -122.32 99.86 6.64 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.599 -0.84 . . . . 2.04 110.033 170.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -177.72 145.41 0.56 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.817 -1.083 . . . . 2.58 108.458 171.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -65.58 119.12 6.09 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 121.738 1.625 . . . . 1.08 111.336 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.7 m -123.02 123.04 67.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.432 0.634 . . . . 1.8 111.751 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.4 m -88.6 160.47 44.5 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.576 -0.738 . . . . 1.62 110.394 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -42.35 -44.75 7.97 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.813 3.008 . . . . 1.38 114.632 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.22 -38.43 79.93 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.737 0.303 . . . . 2.43 111.564 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -63.92 -33.71 76.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.345 -0.389 . . . . 4.04 110.753 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.2 -35.44 77.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.25 -0.432 . . . . 1.46 110.832 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -69.27 -25.26 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.503 . . . . 3.58 110.269 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -65.38 -50.36 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.316 -0.624 . . . . 2.86 109.316 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.86 -34.38 64.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.625 -0.716 . . . . 1.77 110.384 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -70.31 -22.67 62.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.811 -0.632 . . . . 2.77 110.658 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -80.4 -26.76 38.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.146 -0.479 . . . . 3.34 111.641 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -69.55 -31.4 69.58 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.049 0.388 . . . . 3.82 112.049 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 66' ' ' ASP . . . -120.19 154.13 35.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.983 -0.377 . . . . 1.19 109.983 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -91.21 96.98 10.85 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.67 -1.212 . . . . 1.77 108.353 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.17 173.43 2.19 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.833 -1.53 . . . . 1.2 108.377 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -98.74 91.53 5.14 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.962 -0.755 . . . . 1.77 108.962 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 5.5 p -85.51 135.6 24.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.273 0.558 . . . . 1.66 110.233 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -113.58 99.22 7.57 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.611 -0.885 . . . . 3.21 108.611 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.663 ' O ' ' HD2' ' A' ' 106' ' ' ARG . 33.5 m -76.62 129.52 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.368 -0.378 . . . . 1.33 110.544 -174.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.663 ' HD2' ' O ' ' A' ' 105' ' ' VAL . 1.9 mpt_? -131.35 143.19 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.511 -0.313 . . . . 3.2 110.796 -177.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 9.8 t -109.95 127.45 54.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.251 0.548 . . . . 1.25 110.188 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.1 m -127.98 147.97 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.915 -0.584 . . . . 1.93 110.905 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.9 p -118.36 -31.5 4.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.946 -0.57 . . . . 1.68 110.434 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 32.6 m -118.68 141.7 30.39 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 1.09 110.335 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 110' ' ' SER . 37.8 Cg_exo -58.33 -18.9 40.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.487 2.791 . . . . 0.7 114.311 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.02 -29.77 55.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.098 -0.376 . . . . 2.04 110.38 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.28 -41.35 94.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.503 . . . . 2.21 109.803 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.422 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -56.44 -46.79 80.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.356 -0.838 . . . . 1.27 110.527 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -61.14 -35.82 78.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.724 -0.671 . . . . 1.97 110.999 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.36 -52.36 62.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 4.92 110.925 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -64.06 -40.23 95.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.18 111.449 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 114' ' ' ALA . 87.1 mt -60.34 -42.9 92.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.636 0.255 . . . . 1.21 111.225 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.4 -38.74 90.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 3.07 110.846 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -72.6 -22.75 60.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.291 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -89.79 -31.26 17.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.973 -0.558 . . . . 2.33 111.352 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.5 p -76.93 -59.16 2.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.319 -0.4 . . . . 1.88 111.019 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.323 -0.578 0 CA-C-O 121.348 0.594 . . . . 2.53 111.108 -177.425 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.862 0.363 . . . . 2.65 110.376 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.6 m -92.3 135.95 33.6 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.987 -0.745 . . . . 1.23 108.987 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -103.34 119.4 38.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.283 0.563 . . . . 1.11 111.183 -174.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -108.96 141.32 41.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.366 -0.833 . . . . 2.21 109.898 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 4.2 p -128.53 125.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.596 0.712 . . . . 1.71 110.512 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -111.16 157.22 20.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.158 -0.928 . . . . 1.75 108.961 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.6 tt -150.8 129.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.565 0.58 . . . . 1.27 112.565 -173.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.1 mp -119.71 79.05 1.38 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.505 -0.924 . . . . 1.88 108.505 166.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -149.47 89.75 1.66 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.812 -0.631 . . . . 1.57 109.433 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -85.05 86.56 7.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.393 -1.323 . . . . 3.28 110.594 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.4 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 8.6 m-20 -119.8 146.08 46.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.59 -1.186 . . . . 1.57 108.291 164.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 30.0 mmmt -71.02 -36.27 72.34 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.455 -0.498 . . . . 3.5 110.524 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -76.18 -47.71 23.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 3.83 110.972 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.587 ' CD2' ' HA ' ' A' ' 111' ' ' PRO . 1.9 tm? -59.33 -47.78 84.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.836 -0.62 . . . . 2.15 110.945 -175.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.4 mt -59.29 -39.53 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.597 -0.274 . . . . 1.31 111.224 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 65.7 mm-40 -60.85 -64.4 0.97 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.616 -0.265 . . . . 2.15 110.755 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.67 -34.23 74.01 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.448 -0.342 . . . . 2.05 111.503 -175.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.4 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.19 110.898 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -68.8 -36.84 78.75 Favored 'General case' 0 C--O 1.212 -0.918 0 C-N-CA 120.514 -0.475 . . . . 3.54 110.824 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.61 -35.76 80.6 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.874 -0.33 . . . . 2.36 110.883 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.9 mmt -76.54 -46.44 26.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.597 -0.274 . . . . 2.32 110.913 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.56 78.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.711 0.291 . . . . 1.25 111.333 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.54 -44.68 95.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.771 0.795 . . . . 2.41 108.959 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -65.92 -38.05 87.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.438 -1.256 . . . . 4.01 110.068 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.43 3.04 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.678 -0.692 . . . . 1.25 111.471 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.4 m120 58.33 36.86 25.85 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.263 -0.88 . . . . 2.78 111.419 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -97.25 140.91 31.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.853 -0.612 . . . . 1.32 109.351 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.39 101.45 7.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.789 -0.448 . . . . 1.3 109.789 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 41.0 tp -88.3 127.21 35.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 1.77 111.093 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -116.19 99.57 8.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.197 -0.668 . . . . 1.59 109.197 173.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 m -77.33 124.66 28.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.886 -0.597 . . . . 1.72 110.355 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 61' ' ' ALA . 12.9 m -133.85 -175.76 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.18 -0.464 . . . . 1.96 110.971 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' A' ' 54' ' ' ASP . . . -152.85 99.58 0.19 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.945 -0.645 . . . . 1.24 111.999 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 53' ' ' GLY . 21.6 t70 102.75 155.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.273 1.429 . . . . 1.98 111.236 174.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.18 -47.24 65.64 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.171 0.434 . . . . 2.21 112.171 -172.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' O ' ' HE3' ' A' ' 60' ' ' LYS . 15.0 mm-40 -60.73 -34.9 75.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.93 0.395 . . . . 2.04 110.617 -178.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -76.25 -27.37 56.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.677 -0.692 . . . . 2.16 110.916 177.323 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.647 ' O ' HG13 ' A' ' 62' ' ' ILE . 65.0 tp -74.59 -36.63 63.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.469 -0.332 . . . . 1.39 110.56 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.89 -55.42 35.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.926 0.393 . . . . 2.76 112.0 -176.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.475 ' HE3' ' O ' ' A' ' 56' ' ' GLU . 14.4 ptpt -55.63 -30.66 61.32 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.49 -0.777 . . . . 2.81 111.685 174.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -74.55 -45.89 42.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.398 0.142 . . . . 1.17 111.081 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.647 HG13 ' O ' ' A' ' 58' ' ' LEU . 22.1 mt -60.63 -41.13 86.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.419 0.628 . . . . 1.48 109.354 176.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -60.44 -42.08 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.151 -0.931 . . . . 3.28 110.316 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -69.44 -37.22 77.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 2.74 111.112 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.87 72.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.946 0.403 . . . . 1.12 110.397 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.45 -32.54 73.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.992 -0.549 . . . . 1.36 110.665 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 14.4 t70 -60.33 -51.22 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.711 . . . . 1.68 110.685 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.36 -35.99 73.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 1.27 110.244 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.17 -61.19 2.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.669 -0.696 . . . . 1.18 111.142 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -72.89 -12.58 61.02 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.347 0.499 . . . . 2.02 112.347 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 2.6 tppp? . . . . . 0 C--N 1.322 -0.618 0 O-C-N 123.464 0.477 . . . . 3.27 110.439 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.372 0.606 . . . . 1.35 112.075 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -113.55 133.13 55.43 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.212 -1.033 . . . . 2.24 108.212 174.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.446 ' HB ' HG21 ' A' ' 103' ' ' VAL . 63.9 mt -128.7 140.58 48.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.805 0.336 . . . . 1.23 110.591 -174.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.39 134.45 52.3 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.063 -0.717 . . . . 1.98 109.063 177.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.4 mt -118.45 101.9 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.796 0.331 . . . . 1.2 110.16 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.585 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 99.3 mt -93.79 101.21 13.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 2.19 110.465 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -126.79 157.66 38.63 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 121.128 -0.229 . . . . 1.82 111.002 -179.414 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 2.0 tm-20 -98.07 101.5 13.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.062 -1.088 . . . . 2.04 108.062 170.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 63.8 mttm -171.42 151.66 3.07 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 114.775 -1.102 . . . . 2.58 108.302 -177.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.2 117.82 4.51 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.677 1.585 . . . . 1.08 109.906 167.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.6 m -124.33 139.04 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.137 0.494 . . . . 1.8 111.905 -174.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.9 p -101.21 160.0 27.86 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.693 -0.685 . . . . 1.62 110.322 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.3 -31.98 86.53 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.325 2.016 . . . . 1.38 111.572 173.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.92 -47.96 84.02 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.611 -0.722 . . . . 2.43 110.736 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -65.36 -36.49 84.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 4.04 110.324 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.09 -44.4 94.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.209 -0.451 . . . . 1.46 110.204 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.15 -33.46 75.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.503 . . . . 3.58 110.47 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.57 -40.78 97.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 2.86 110.707 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.94 -33.78 39.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.296 -0.411 . . . . 1.77 110.649 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.93 -34.73 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.445 -0.576 . . . . 2.77 109.445 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.515 ' HZ2' ' HB3' ' A' ' 97' ' ' LYS . 4.2 mmmp? -80.93 -20.83 41.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 3.34 111.349 174.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -66.29 -50.62 63.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 3.82 110.179 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.87 132.32 55.35 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.577 -0.527 . . . . 1.19 109.577 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.82 100.34 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.708 0.766 . . . . 1.77 109.697 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.97 -175.09 0.7 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.154 -1.384 . . . . 1.2 107.839 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -111.12 89.0 2.92 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.45 -0.574 . . . . 1.77 109.45 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.446 HG21 ' HB ' ' A' ' 79' ' ' ILE . 3.3 p -90.47 141.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.393 0.616 . . . . 1.66 110.016 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -124.47 107.46 11.11 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.445 -0.946 . . . . 3.21 108.445 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.8 m -82.22 139.77 17.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.43 -0.508 . . . . 1.33 109.987 -174.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -136.73 140.19 42.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.884 0.373 . . . . 3.2 110.688 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 8.8 t -95.11 131.86 40.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.015 -0.539 . . . . 1.25 109.869 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 114' ' ' ALA . 3.9 p -129.21 125.16 61.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.129 -0.487 . . . . 1.93 111.154 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.3 p -119.3 -2.03 10.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.22 -0.446 . . . . 1.68 111.129 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.0 m -154.63 147.34 17.81 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-N 116.784 -0.189 . . . . 1.09 111.247 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.587 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 32.5 Cg_exo -38.52 -53.99 1.65 Allowed 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 123.972 3.115 . . . . 0.7 114.602 176.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 41.1 m-20 -57.55 -38.33 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 2.04 111.991 -173.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.09 -47.71 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 2.21 110.372 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.41 ' HB3' HG22 ' A' ' 108' ' ' VAL . . . -60.86 -44.21 97.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.898 -0.592 . . . . 1.27 110.523 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.425 ' HZ2' ' HB2' ' A' ' 115' ' ' LYS . 9.8 mtmp? -62.55 -29.51 70.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 1.97 111.152 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 112' ' ' ASP . 63.7 mtt180 -67.09 -53.14 33.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.485 -0.325 . . . . 4.92 110.41 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -65.58 -44.67 85.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.945 -0.571 . . . . 1.18 111.157 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.7 mt -57.36 -41.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 1.21 110.997 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.48 ' HA ' ' HE3' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -64.54 -47.09 80.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.786 -0.643 . . . . 3.07 110.526 -178.827 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.48 -50.12 64.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 2.48 111.074 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -58.31 -37.06 74.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.965 -0.561 . . . . 2.33 111.372 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.0 t -70.39 -55.58 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.245 -0.434 . . . . 1.88 110.65 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 121.383 0.611 . . . . 2.53 111.386 -175.913 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.089 -0.338 . . . . 2.65 110.089 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -79.73 132.34 36.16 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.705 -0.398 . . . . 1.23 110.378 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 64.6 mt -111.62 120.05 40.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.851 0.358 . . . . 1.11 110.813 -177.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 69' ' ' ALA . 72.9 m-85 -113.43 155.79 24.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 2.21 110.586 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.448 ' HB ' HD23 ' A' ' 49' ' ' LEU . 22.8 t -135.42 111.73 13.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.137 -0.483 . . . . 1.71 110.522 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.06 154.17 19.59 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.801 -1.185 . . . . 1.75 107.801 167.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.547 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.5 tt -151.17 125.12 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.878 -0.329 . . . . 1.27 111.084 -177.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -112.81 78.83 1.16 Allowed 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.775 -0.824 . . . . 1.88 108.775 168.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -150.95 100.31 2.79 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.473 -0.785 . . . . 1.57 109.401 173.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -82.24 85.72 6.78 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 117.863 -1.535 . . . . 3.28 109.506 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 10.6 t70 -120.75 115.67 23.76 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.727 -1.124 . . . . 1.57 107.993 167.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.6 -37.35 83.59 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.819 0.674 . . . . 3.5 112.819 -170.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HZ1' ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -86.18 -26.65 25.02 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.589 -0.444 . . . . 3.83 110.772 -179.027 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -63.64 -55.52 22.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.316 -0.624 . . . . 2.15 109.316 174.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.8 mt -52.48 -31.63 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.401 -0.818 . . . . 1.31 110.813 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -65.08 -58.38 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 2.15 110.559 175.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.68 -41.71 99.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.554 . . . . 2.05 111.215 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.62 96.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.004 -0.544 . . . . 1.19 111.14 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.571 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 45.4 ttt180 -70.4 -47.94 58.5 Favored 'General case' 0 C--O 1.21 -1.007 0 C-N-CA 120.102 -0.639 . . . . 3.54 110.392 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.52 -34.86 69.55 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.876 0.37 . . . . 2.36 110.739 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.4 ' SD ' ' HB ' ' A' ' 118' ' ' ILE . 33.1 ttm -62.64 -52.58 62.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.863 -0.608 . . . . 2.32 110.231 173.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -65.96 -29.29 69.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 1.25 111.503 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 39.4 mm-40 -59.51 -52.2 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.542 0.687 . . . . 2.41 109.679 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -74.36 -28.07 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.005 -0.998 . . . . 4.01 111.331 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.36 -0.64 53.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.756 0.312 . . . . 1.25 111.342 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.4 m120 60.19 38.55 20.06 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.838 -0.619 . . . . 2.78 111.485 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.45 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 15.3 mt -103.01 161.31 13.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.098 -0.705 . . . . 1.32 109.098 177.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.412 HD11 ' CE1' ' A' ' 24' ' ' PHE . 50.4 mt -101.33 97.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.235 0.54 . . . . 1.3 110.939 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.448 HD23 ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -81.68 120.63 25.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.51 -0.768 . . . . 1.77 108.96 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.4 mt -117.16 108.16 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.868 -0.419 . . . . 1.59 109.868 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 p -72.39 126.5 29.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.127 -0.488 . . . . 1.72 110.943 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.437 HG11 ' HG2' ' A' ' 57' ' ' GLU . 40.4 t -134.5 155.43 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.739 0.304 . . . . 1.96 110.984 -174.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.588 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -155.91 94.94 0.14 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.561 -0.828 . . . . 1.24 111.897 168.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.588 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 14.2 t70 144.53 140.89 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.756 1.622 . . . . 1.98 107.387 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.22 -25.29 64.24 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.843 0.354 . . . . 2.21 111.053 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 43.9 mt-10 -86.74 -25.48 24.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.882 -0.414 . . . . 2.04 109.882 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HG2' HG11 ' A' ' 52' ' ' VAL . 34.3 tt0 -70.71 -28.33 64.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.18 -0.674 . . . . 2.16 109.18 171.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 62' ' ' ILE . 14.4 mt -60.14 -44.15 95.16 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.804 -0.443 . . . . 1.39 109.804 169.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 65.1 mttm -54.73 -27.73 43.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.586 . . . . 2.76 110.994 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -90.1 -45.11 9.36 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.351 -0.84 . . . . 2.81 110.645 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.16 75.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 1.17 111.386 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 58' ' ' LEU . 65.1 mt -69.3 -38.87 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.983 0.42 . . . . 1.48 109.971 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -65.65 -35.71 81.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.101 0.476 . . . . 3.28 109.862 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -68.56 -36.47 78.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.619 -0.718 . . . . 2.74 110.7 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.09 82.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.027 0.441 . . . . 1.12 109.893 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.04 -41.44 78.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.577 -0.738 . . . . 1.36 110.381 174.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.43 -50.16 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.586 -0.734 . . . . 1.68 111.488 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.38 -38.4 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.141 0.496 . . . . 1.27 110.808 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -69.25 -49.15 58.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.841 -0.618 . . . . 1.18 111.525 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.8 -18.4 60.96 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.266 0.839 . . . . 2.02 113.266 -170.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 C--N 1.313 -1.019 0 C-N-CA 120.182 -0.607 . . . . 3.27 109.506 176.757 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.724 0.297 . . . . 1.35 110.745 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.427 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 65.4 mttm -123.56 141.84 51.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.199 -0.667 . . . . 2.24 109.199 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.436 ' HB ' HG22 ' A' ' 103' ' ' VAL . 61.8 mt -138.72 139.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.57 0.224 . . . . 1.23 111.266 -174.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.8 mt -101.07 143.09 31.62 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.09 -0.337 . . . . 1.98 110.09 169.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 92.0 mt -120.19 96.04 4.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.864 -0.791 . . . . 1.2 108.864 165.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.547 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 25.1 mt -77.76 141.61 39.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.114 -0.698 . . . . 2.19 109.114 174.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.1 pp -170.29 164.5 8.93 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.902 -0.407 . . . . 1.82 109.902 177.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 40.3 mt-10 -117.43 99.19 6.83 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.006 -0.677 . . . . 2.04 109.935 174.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -177.13 159.08 1.42 Allowed Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 114.992 -1.003 . . . . 2.58 108.524 170.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.16 118.89 5.81 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.247 1.965 . . . . 1.08 112.019 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.7 m -116.32 127.87 73.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.253 0.549 . . . . 1.8 110.895 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.4 m -91.82 158.43 40.0 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.988 -0.551 . . . . 1.62 110.021 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.71 -44.68 25.83 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.729 2.286 . . . . 1.38 113.38 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 44.2 mt-10 -72.99 -12.18 60.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.513 -0.312 . . . . 2.43 111.833 -175.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -69.21 -39.29 78.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.341 -0.614 . . . . 4.04 109.341 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.414 ' OE2' ' HA ' ' A' ' 104' ' ' ARG . 39.5 tt0 -69.5 -38.02 77.45 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.495 -0.775 . . . . 1.46 110.313 177.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -60.22 -43.33 96.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.94 -0.573 . . . . 3.58 110.686 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 64.6 mttp -63.87 -38.37 90.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.4 -0.364 . . . . 2.86 111.11 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.52 -34.21 54.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.888 0.375 . . . . 1.77 110.83 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.97 -35.71 80.57 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.047 -0.723 . . . . 2.77 109.047 176.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -75.49 -28.08 59.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.117 -0.492 . . . . 3.34 111.406 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -63.62 -42.76 98.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 3.82 110.872 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.73 128.54 48.95 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.153 -0.476 . . . . 1.19 110.097 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.24 101.21 1.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.56 0.695 . . . . 1.77 109.749 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.79 -179.63 0.98 Allowed 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 114.322 -1.308 . . . . 1.2 107.696 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -104.4 89.29 3.19 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 120.088 -0.645 . . . . 1.77 109.275 170.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.436 HG22 ' HB ' ' A' ' 79' ' ' ILE . 3.0 p -87.92 135.77 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.444 0.64 . . . . 1.66 109.705 178.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.414 ' HA ' ' OE2' ' A' ' 92' ' ' GLU . 39.8 ttm180 -119.71 99.81 6.88 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.223 -1.029 . . . . 3.21 108.223 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.3 m -72.42 133.71 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.274 -0.639 . . . . 1.33 109.274 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.4 mmp_? -126.45 113.25 16.6 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.163 -0.336 . . . . 3.2 110.42 -174.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.9 t -89.25 120.7 30.85 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.392 -0.595 . . . . 1.25 109.392 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 24.0 m -106.29 139.33 27.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 1.93 111.376 -174.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.0 p -110.34 -4.74 15.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.917 -0.583 . . . . 1.68 111.161 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.416 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 58.9 m -161.82 151.72 13.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.66 -0.496 . . . . 1.09 109.66 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.492 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 51.7 Cg_exo -54.79 -38.44 91.98 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.258 1.972 . . . . 0.7 112.229 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.56 -40.66 95.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.829 -0.623 . . . . 2.04 110.922 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.416 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 42.2 mm-40 -58.33 -47.39 83.87 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.228 -0.442 . . . . 2.21 110.208 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.05 74.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.722 -0.672 . . . . 1.27 110.885 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 115' ' ' LYS . 8.3 mtpm? -63.76 -38.43 91.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.775 -0.648 . . . . 1.97 110.846 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 120' ' ' GLU . 1.2 mpt_? -65.11 -44.05 90.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.462 -0.335 . . . . 4.92 111.119 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -61.45 -42.29 98.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.667 0.27 . . . . 1.18 110.753 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.4 ' HB ' ' SD ' ' A' ' 41' ' ' MET . 66.3 mt -70.62 -39.5 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.381 -0.372 . . . . 1.21 110.888 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.96 -45.67 86.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.888 0.375 . . . . 3.07 110.397 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 45.4 mt-10 -69.65 -41.4 75.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.575 . . . . 2.48 110.264 178.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 64.5 t80 -63.84 -21.69 66.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 2.33 111.604 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.7 m -64.23 -26.75 68.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.784 0.326 . . . . 1.88 110.387 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--O 1.234 0.278 0 CA-C-N 115.868 -0.605 . . . . 2.53 109.781 -178.016 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.533 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 25.4 ptt? . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 120.664 0.269 . . . . 2.65 110.52 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 m -85.01 127.67 34.3 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.561 -0.533 . . . . 1.23 109.561 175.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -104.72 114.95 29.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.251 0.548 . . . . 1.11 110.809 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.442 ' HB2' HG12 ' A' ' 79' ' ' ILE . 37.5 m-85 -105.98 157.87 17.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.54 -0.755 . . . . 2.21 109.325 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 2.6 p -143.43 130.86 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.805 0.812 . . . . 1.71 111.127 173.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mp -115.98 162.96 16.6 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.644 -1.162 . . . . 1.75 109.135 176.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.1 tt -148.37 128.76 4.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 116.386 -0.37 . . . . 1.27 110.448 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 tp -124.57 77.9 1.62 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 119.625 -0.83 . . . . 1.88 109.235 170.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 t -149.26 88.94 1.61 Allowed 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 107.099 -1.445 . . . . 1.57 107.099 170.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -85.01 88.86 7.49 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.332 -1.347 . . . . 3.28 111.393 -170.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 8.9 t70 -119.27 140.12 50.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.346 -1.297 . . . . 1.57 108.08 162.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 13.8 mptt -58.05 -61.47 2.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.672 0.669 . . . . 3.5 112.037 -175.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -68.92 -31.0 69.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.489 0.185 . . . . 3.83 111.253 -174.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.628 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 30.1 tp -57.45 -55.3 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 2.15 110.349 174.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.5 mt -59.0 -43.24 88.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 1.31 111.071 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 45.2 mt-10 -62.7 -51.97 65.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.407 -0.36 . . . . 2.15 111.382 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -67.39 -35.68 79.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.641 0.258 . . . . 2.05 111.376 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.11 79.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 1.19 110.606 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -63.96 -44.97 91.2 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.19 -0.459 . . . . 3.54 110.895 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 65.9 mttm -52.75 -34.62 53.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.909 0.385 . . . . 2.36 110.945 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.9 tpt -72.61 -55.03 7.51 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.885 -0.598 . . . . 2.32 111.328 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -32.38 61.04 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.325 0.491 . . . . 1.25 112.325 -174.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -61.28 -45.15 95.68 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.344 -0.614 . . . . 2.41 109.344 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -79.51 -20.41 47.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.779 -0.646 . . . . 4.01 111.309 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.2 1.65 17.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.01 0.433 . . . . 1.25 111.04 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 63.37 32.97 14.25 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.327 -0.852 . . . . 2.78 110.688 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.61 140.56 31.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.627 -0.715 . . . . 1.32 109.225 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.5 mt -78.94 91.73 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.374 0.607 . . . . 1.3 109.799 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 62.2 tp -89.94 133.43 34.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.215 -0.902 . . . . 1.77 111.037 -176.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.0 mt -122.92 99.78 7.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.872 -0.604 . . . . 1.59 109.663 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 p -81.35 114.38 20.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.806 -0.634 . . . . 1.72 110.961 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.442 HG23 ' HA ' ' A' ' 58' ' ' LEU . 6.1 m -123.84 164.58 21.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.282 -0.417 . . . . 1.96 110.97 -177.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -140.98 97.38 0.21 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.585 -0.817 . . . . 1.24 112.305 176.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.0 t70 135.42 149.99 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.956 1.703 . . . . 1.98 108.925 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -62.05 -43.12 99.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.928 0.394 . . . . 2.21 110.67 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.42 -30.38 67.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 2.04 110.91 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -62.51 -41.87 99.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 2.16 110.173 175.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.442 ' HA ' HG23 ' A' ' 52' ' ' VAL . 24.3 tp -62.08 -41.52 98.27 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.825 -0.625 . . . . 1.39 109.998 175.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -60.25 -25.51 65.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.085 -0.961 . . . . 2.76 110.936 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 49.8 mttm -90.57 -35.82 14.8 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.248 -0.887 . . . . 2.81 111.096 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.3 95.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.156 0.503 . . . . 1.17 109.751 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.0 mt -58.64 -46.19 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.858 . . . . 1.48 110.795 176.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -66.21 -43.25 87.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 3.28 111.305 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 7.1 mtpm? -69.15 -27.35 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 2.74 111.112 -177.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.39 -33.35 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 1.12 110.538 177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.47 -43.44 98.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 1.36 110.193 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.9 -36.99 75.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.994 -0.548 . . . . 1.68 111.303 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.5 mt -74.66 -39.16 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.003 0.43 . . . . 1.27 110.139 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.14 -53.85 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.754 -0.657 . . . . 1.18 110.94 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -59.18 -31.12 68.71 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.946 -0.57 . . . . 2.02 111.417 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.551 -0.749 . . . . 3.27 110.476 -179.629 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.685 -0.487 . . . . 1.35 109.685 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.533 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 47.5 mtmt -136.17 139.47 42.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.081 0.467 . . . . 2.24 110.56 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.474 ' HB ' HG21 ' A' ' 103' ' ' VAL . 53.9 mt -124.0 142.16 41.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.663 -0.698 . . . . 1.23 109.632 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.04 126.49 52.4 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.483 -0.932 . . . . 1.98 108.483 174.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.6 mt -116.18 107.86 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.58 -0.448 . . . . 1.2 110.474 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 106' ' ' ARG . 96.8 mt -95.26 99.04 11.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.499 . . . . 2.19 110.04 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -123.05 159.5 28.29 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 121.161 -0.215 . . . . 1.82 110.603 -178.767 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -102.49 101.55 11.76 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.527 -0.869 . . . . 2.04 108.998 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -174.38 144.22 0.92 Allowed Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 114.933 -1.031 . . . . 2.58 108.452 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.17 119.97 7.1 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 121.917 1.744 . . . . 1.08 110.635 170.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 m -124.6 130.86 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.337 0.589 . . . . 1.8 111.677 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.0 p -100.12 172.82 4.22 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.417 -0.81 . . . . 1.62 109.855 175.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -54.27 -29.64 58.28 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 121.815 1.677 . . . . 1.38 111.542 171.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 42.3 mt-10 -70.84 -45.07 65.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.483 -0.78 . . . . 2.43 110.434 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.12 -45.64 83.31 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.917 0.389 . . . . 4.04 110.525 174.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.73 -44.56 86.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.662 -0.699 . . . . 1.46 110.784 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -61.55 -37.22 82.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.665 -0.698 . . . . 3.58 110.9 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 34.8 mmtp -59.78 -46.3 89.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 2.86 110.701 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.7 mt -80.18 -35.33 36.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.988 -0.551 . . . . 1.77 110.867 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -70.94 -29.32 65.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.986 -0.552 . . . . 2.77 110.818 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -81.56 -29.19 33.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.349 -0.387 . . . . 3.34 111.506 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -65.58 -50.39 65.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 3.82 111.0 -176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.24 148.57 24.96 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.652 -0.87 . . . . 1.19 108.652 174.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -88.9 99.25 12.25 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.652 -1.219 . . . . 1.77 108.754 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.0 160.38 2.28 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.06 -1.427 . . . . 1.2 108.528 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -91.58 89.16 7.05 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.727 -0.842 . . . . 1.77 108.727 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.474 HG21 ' HB ' ' A' ' 79' ' ' ILE . 8.8 p -84.22 131.56 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.602 0.715 . . . . 1.66 110.714 -176.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -99.77 98.92 9.68 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.107 -0.951 . . . . 3.21 108.58 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.65 116.45 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.182 0.515 . . . . 1.33 109.824 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.453 ' HB2' HD22 ' A' ' 82' ' ' LEU . 5.4 mmp_? -119.53 137.36 53.87 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 122.156 -0.34 . . . . 3.2 110.42 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 12.4 t -90.6 132.87 35.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.537 -0.542 . . . . 1.25 109.537 178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.41 HG22 ' HB1' ' A' ' 114' ' ' ALA . 10.4 p -126.33 146.52 32.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.406 -0.361 . . . . 1.93 111.125 -175.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.3 p -131.5 -17.52 2.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 1.68 111.331 175.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 p -138.4 140.59 28.67 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-O 121.367 0.603 . . . . 1.09 111.375 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PRO . . . . . 0.628 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 88.7 Cg_exo -50.18 -36.81 47.32 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.459 3.439 . . . . 0.7 114.032 -177.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.15 -38.2 78.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.468 -0.333 . . . . 2.04 111.199 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.58 -36.63 81.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.782 0.325 . . . . 2.21 110.127 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.41 ' HB1' HG22 ' A' ' 108' ' ' VAL . . . -56.95 -50.02 73.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 1.27 110.114 175.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.473 ' HB2' ' HZ3' ' A' ' 115' ' ' LYS . 10.0 mtmp? -61.32 -31.69 71.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.725 -0.67 . . . . 1.97 111.172 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -65.31 -51.52 60.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.275 -0.421 . . . . 4.92 110.798 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -64.18 -39.14 93.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 1.18 110.82 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.12 -46.51 91.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 1.21 110.505 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -60.42 -46.8 88.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 3.07 110.92 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -65.52 -35.68 81.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.779 -0.646 . . . . 2.48 111.351 -177.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -77.97 -32.84 51.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.947 0.403 . . . . 2.33 110.552 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.2 t -64.31 -46.85 81.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 1.88 110.755 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.04 -0.527 . . . . 2.53 111.748 -173.717 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.606 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 49.9 ttp . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.307 -0.257 . . . . 2.65 110.307 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -83.14 121.49 27.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.252 -0.277 . . . . 1.23 110.252 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -100.66 123.9 45.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.14 0.495 . . . . 1.11 111.03 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 44.8 m-85 -113.92 161.72 17.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.86 -0.609 . . . . 2.21 109.969 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.3 p -149.14 132.33 7.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.499 0.666 . . . . 1.71 111.057 172.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -111.31 160.89 16.61 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.927 -1.033 . . . . 1.75 109.05 175.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.541 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 17.9 tt -151.07 126.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.522 -0.471 . . . . 1.27 111.734 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -117.24 78.55 1.23 Allowed 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.826 -1.176 . . . . 1.88 107.826 165.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.6 m -149.85 89.65 1.63 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.176 -0.92 . . . . 1.57 110.128 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 40.7 m-80 -90.2 87.39 6.83 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 118.055 -1.458 . . . . 3.28 110.731 -177.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.58 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 7.4 t70 -120.66 135.32 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.331 -1.304 . . . . 1.57 108.204 162.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -56.31 -56.82 16.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 118.771 0.714 . . . . 3.5 112.048 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -72.69 -34.45 67.17 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.084 -0.246 . . . . 3.83 111.476 -174.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 41.1 tp -57.62 -50.41 73.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.673 0.273 . . . . 2.15 110.553 176.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.72 -39.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 1.31 110.667 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 8.5 mm-40 -57.78 -58.01 10.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 2.15 110.427 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 59.8 mm-40 -59.6 -44.49 93.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.884 -0.598 . . . . 2.05 111.488 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.38 85.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 1.19 111.175 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 39' ' ' ARG . 15.0 ttt180 -66.49 -50.69 62.43 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 120.566 -0.454 . . . . 3.54 110.251 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 95.5 mttt -53.59 -39.8 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 2.36 111.287 -176.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.4 tpt -67.26 -53.84 26.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.861 -0.609 . . . . 2.32 110.936 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -72.99 -27.05 61.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 1.25 111.767 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.2 -46.04 78.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.193 0.521 . . . . 2.41 110.098 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -78.16 -16.81 57.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.788 -0.642 . . . . 4.01 110.425 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.41 -2.51 57.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.87 -0.605 . . . . 1.25 109.97 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.3 t30 60.7 34.19 20.05 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.027 -0.988 . . . . 2.78 111.355 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.402 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 19.9 mt -86.89 155.17 20.35 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.078 -0.712 . . . . 1.32 109.078 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.483 HD12 ' CE2' ' A' ' 24' ' ' PHE . 50.0 mt -90.27 92.02 3.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.452 0.644 . . . . 1.3 109.902 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.401 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 48.8 tp -92.33 116.61 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.028 -0.987 . . . . 1.77 110.479 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.491 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 51.3 mt -108.97 106.89 21.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.065 0.46 . . . . 1.59 109.786 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.3 p -87.78 112.38 22.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.856 -0.611 . . . . 1.72 111.03 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.449 HG22 ' HA ' ' A' ' 58' ' ' LEU . 35.7 m -125.94 166.96 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.446 -0.576 . . . . 1.96 109.446 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -136.97 95.35 0.23 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.81 -1.186 . . . . 1.24 112.521 174.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 30.9 t70 154.89 150.12 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.324 1.45 . . . . 1.98 108.1 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.41 -38.37 81.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.124 0.488 . . . . 2.21 110.267 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 7.3 mm-40 -72.28 -40.55 67.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.102 -0.499 . . . . 2.04 110.051 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.14 -31.6 72.1 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.185 -0.461 . . . . 2.16 111.11 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' HA ' HG22 ' A' ' 52' ' ' VAL . 45.8 tp -60.58 -40.77 92.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 1.39 110.11 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -67.94 -19.68 64.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.898 -0.592 . . . . 2.76 111.05 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 6.3 mmpt? -86.86 -33.48 19.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.717 -0.674 . . . . 2.81 109.754 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.74 -43.71 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.634 -0.712 . . . . 1.17 109.674 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.9 mt -57.68 -44.02 84.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.311 -0.859 . . . . 1.48 110.458 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -61.76 -42.93 99.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 3.28 110.725 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.425 ' O ' HG13 ' A' ' 68' ' ' ILE . 38.4 ttmt -62.22 -38.87 90.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 2.74 110.051 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.05 99.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 1.12 110.421 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 24.4 t70 -59.58 -44.95 93.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.826 -0.625 . . . . 1.36 110.461 176.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -62.54 -48.25 80.34 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.053 -0.522 . . . . 1.68 111.524 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 64' ' ' LYS . 81.7 mt -62.68 -44.24 99.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 120.857 0.361 . . . . 1.27 110.717 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.515 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -64.66 -42.73 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 1.18 110.81 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.581 ' NZ ' ' HB2' ' A' ' 100' ' ' ASP . 9.1 tppt? -54.75 -36.08 64.43 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.502 -0.772 . . . . 2.02 111.95 -174.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.492 ' HZ3' ' HB2' ' A' ' 71' ' ' LYS . 3.5 ttmp? -54.84 -41.97 71.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.75 -0.659 . . . . 3.27 110.571 -178.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -125.63 -55.15 1.53 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.476 1.287 . . . . 2.22 114.476 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -116.25 12.65 15.46 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.337 1.977 . . . . 2.6 116.337 -163.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.547 ' CB ' ' HA ' ' A' ' 70' ' ' LYS . 33.1 t -62.99 -9.4 9.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.053 0.842 . . . . 3.69 111.844 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 m -52.64 -44.6 66.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.107 0.479 . . . . 2.97 109.834 173.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -153.68 99.0 2.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.803 -0.635 . . . . 2.76 109.699 171.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.33 158.87 30.08 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.556 -0.747 . . . . 1.35 109.315 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.606 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 54.2 mtmt -126.33 137.7 53.51 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.908 -0.405 . . . . 2.24 109.908 177.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.44 ' HB ' HG23 ' A' ' 103' ' ' VAL . 53.3 mt -130.38 142.76 42.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.739 -0.664 . . . . 1.23 109.919 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.511 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 21.6 tp -113.88 136.1 53.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.09 -0.707 . . . . 1.98 109.09 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 70.4 mt -120.31 109.61 26.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.868 -0.419 . . . . 1.2 109.868 176.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 71.1 mt -93.67 104.77 16.85 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.486 -0.561 . . . . 2.19 109.486 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.641 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.5 pt? -128.26 156.43 43.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 120.626 0.251 . . . . 1.82 110.485 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -99.33 98.32 9.28 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.437 -1.32 . . . . 2.04 107.437 169.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -175.16 140.29 0.63 Allowed Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.808 -1.087 . . . . 2.58 108.368 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.8 118.63 5.56 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 121.656 1.57 . . . . 1.08 110.722 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.1 m -110.98 129.8 65.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.226 0.536 . . . . 1.8 111.712 -175.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 m -101.1 157.27 33.97 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.786 -0.643 . . . . 1.62 110.495 176.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.403 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 80.6 Cg_exo -47.17 -51.41 9.46 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.9 2.4 . . . . 1.38 112.994 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.71 -36.82 77.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.497 -0.32 . . . . 2.43 111.04 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -62.97 -39.14 93.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 4.04 110.108 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.38 -45.09 92.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.8 -0.636 . . . . 1.46 110.789 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 67.5 mmtt -73.18 -22.23 60.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 3.58 110.779 -174.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -64.42 -46.51 82.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.968 0.413 . . . . 2.86 110.1 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.77 -32.68 62.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.028 -0.533 . . . . 1.77 110.274 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 24.2 tm0? -65.31 -36.5 84.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.666 . . . . 2.77 110.52 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.424 ' HZ1' ' HB3' ' A' ' 97' ' ' LYS . 4.0 mmmp? -81.35 -9.52 59.73 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.889 -0.324 . . . . 3.34 111.813 177.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -78.4 -51.35 10.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 3.82 109.871 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.56 129.89 54.93 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.739 -0.837 . . . . 1.19 108.739 175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.581 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 8.3 m-20 -75.73 99.5 4.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.018 0.913 . . . . 1.77 109.547 -173.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.09 179.0 1.35 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.204 -1.816 . . . . 1.2 107.766 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.491 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 68.8 mm-40 -103.91 94.81 5.61 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.268 -0.641 . . . . 1.77 109.268 171.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.44 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.5 p -92.19 139.96 17.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.364 0.602 . . . . 1.66 110.323 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' O ' HD13 ' A' ' 80' ' ' LEU . 70.1 mtt180 -115.8 110.76 19.51 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.341 -0.845 . . . . 3.21 108.781 174.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m -81.03 133.14 29.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.025 -0.731 . . . . 1.33 109.025 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.91 121.42 21.68 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 121.04 -0.264 . . . . 3.2 111.278 -172.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.641 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 9.3 t -83.4 129.8 35.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.529 -0.545 . . . . 1.25 109.529 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.3 m -116.47 156.09 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.185 0.516 . . . . 1.93 111.384 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.3 p -125.21 -63.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.446 -0.797 . . . . 1.68 110.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.6 m -113.28 153.46 45.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.439 -0.346 . . . . 1.09 111.077 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.519 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 86.1 Cg_exo -43.36 -52.01 5.39 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.398 2.732 . . . . 0.7 113.806 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.07 -32.35 70.85 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.471 -0.331 . . . . 2.04 111.82 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.67 -44.47 86.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 2.21 110.011 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.462 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.33 -40.92 97.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.821 -0.627 . . . . 1.27 110.772 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 111' ' ' PRO . 50.1 mtpt -64.27 -34.19 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 1.97 110.497 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.421 ' HD2' ' CZ3' ' A' ' 117' ' ' TRP . 10.7 ttm180 -64.75 -42.14 95.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 4.92 110.239 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CZ3' ' HD2' ' A' ' 116' ' ' ARG . 6.1 m95 -68.9 -34.83 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.842 -0.617 . . . . 1.18 110.748 -178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 114' ' ' ALA . 74.6 mt -63.46 -40.1 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.849 -0.426 . . . . 1.21 109.849 175.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -63.76 -41.82 97.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 3.07 110.65 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 124' ' ' GLU . 33.7 tt0 -70.11 -19.35 63.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.315 0.579 . . . . 2.48 110.708 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -91.22 -50.68 5.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.553 -0.749 . . . . 2.33 111.67 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 m -84.43 -20.28 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.74 0.305 . . . . 1.88 111.607 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -128.97 43.88 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.301 0.572 . . . . 2.53 110.527 -174.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 120' ' ' GLU . 12.0 pt-20 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.172 -0.918 . . . . 2.76 110.523 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.628 0.252 . . . . 2.65 110.336 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -97.38 136.24 38.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.843 -0.428 . . . . 1.23 109.843 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.42 124.96 46.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.056 0.455 . . . . 1.11 110.527 -177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -113.02 151.22 30.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.966 -0.561 . . . . 2.21 110.343 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 49' ' ' LEU . 3.9 p -133.86 113.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.795 0.807 . . . . 1.71 110.857 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -97.65 151.32 20.23 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.945 -1.025 . . . . 1.75 108.445 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.757 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 17.0 tt -151.68 119.85 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.026 -0.67 . . . . 1.27 112.754 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mp -105.63 76.78 1.22 Allowed 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 108.824 -0.806 . . . . 1.88 108.824 166.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.7 m -149.45 88.69 1.58 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.005 -0.998 . . . . 1.57 108.826 175.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -94.61 90.54 6.18 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 118.43 -1.308 . . . . 3.28 110.834 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.471 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 12.6 t70 -118.31 136.49 53.67 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.691 -1.226 . . . . 1.57 107.691 160.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.573 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 14.3 mmmm -55.97 -55.66 30.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 118.597 0.635 . . . . 3.5 111.681 -174.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.554 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -73.38 -32.49 64.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.435 -0.348 . . . . 3.83 110.86 -174.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -58.18 -53.44 58.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.501 -0.555 . . . . 2.15 109.501 175.442 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.6 -33.95 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.124 0.488 . . . . 1.31 110.593 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 46.3 mt-10 -67.97 -51.68 44.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.764 -0.653 . . . . 2.15 110.127 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 57.5 mm-40 -60.42 -40.83 92.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.847 -0.615 . . . . 2.05 110.96 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.39 93.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.793 -0.64 . . . . 1.19 110.707 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -67.25 -36.85 82.46 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.475 -0.329 . . . . 3.54 110.863 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.564 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 99.7 mttt -53.85 -40.53 66.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.529 . . . . 2.36 110.39 177.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.6 mmm -75.63 -54.2 7.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.621 -0.718 . . . . 2.32 110.702 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.24 86.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.638 0.607 . . . . 1.25 112.638 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.28 -46.67 87.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.835 -0.802 . . . . 2.41 108.835 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HE3' ' N ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.07 -29.41 68.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.528 -0.76 . . . . 4.01 110.831 176.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.43 1.66 40.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.039 -0.528 . . . . 1.25 112.03 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.09 40.01 12.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.96 0.886 . . . . 2.78 110.203 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.406 HD12 HG23 ' A' ' 118' ' ' ILE . 65.9 mt -107.31 136.0 47.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.764 -0.653 . . . . 1.32 110.126 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.9 mt -78.38 104.32 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.74 -0.467 . . . . 1.3 109.74 177.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HA ' HG12 ' A' ' 25' ' ' VAL . 52.7 tp -84.15 121.61 27.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 1.77 110.752 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.4 mt -118.47 102.19 12.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.066 0.46 . . . . 1.59 110.067 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -85.04 110.68 19.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.041 -0.527 . . . . 1.72 111.299 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 61' ' ' ALA . 15.3 m -132.6 145.13 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.755 -0.657 . . . . 1.96 109.652 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.45 95.79 0.45 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 119.72 -1.228 . . . . 1.24 112.654 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.487 ' OD1' ' HB2' ' A' ' 56' ' ' GLU . 21.8 t70 151.1 152.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.398 1.479 . . . . 1.98 108.858 175.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.29 -43.24 95.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.984 0.421 . . . . 2.21 110.948 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.487 ' HB2' ' OD1' ' A' ' 54' ' ' ASP . 24.4 mm-40 -67.4 -39.78 85.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.035 -0.53 . . . . 2.04 110.07 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' HB3' ' A' ' 54' ' ' ASP . 49.7 mm-40 -64.98 -32.77 74.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 2.16 110.838 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.48 ' O ' HG13 ' A' ' 62' ' ' ILE . 60.9 tp -60.0 -43.23 95.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.378 -0.601 . . . . 1.39 109.378 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -62.64 -22.99 66.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.821 -0.627 . . . . 2.76 111.758 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 8.4 mmpt? -84.2 -36.01 23.09 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.126 -0.488 . . . . 2.81 110.195 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB2' HG12 ' A' ' 52' ' ' VAL . . . -70.64 -39.26 73.76 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.585 -0.524 . . . . 1.17 109.585 174.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 58' ' ' LEU . 87.0 mt -59.33 -50.69 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.26 -0.882 . . . . 1.48 110.607 176.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -65.11 -34.73 79.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 3.28 110.742 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 68' ' ' ILE . 89.1 tttt -66.06 -45.76 80.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 2.74 110.217 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.8 84.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 1.12 110.587 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.529 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 14.1 t70 -58.91 -39.08 80.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.702 -0.681 . . . . 1.36 110.784 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 30.7 t70 -67.33 -48.82 66.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.582 . . . . 1.68 111.039 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 64' ' ' LYS . 75.3 mt -65.0 -32.5 58.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.239 -0.437 . . . . 1.27 110.547 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -52.2 50.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 1.18 111.193 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.655 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 68.1 mttm -59.79 -27.48 66.6 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 112.468 0.544 . . . . 2.02 112.468 -175.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 67.7 mttm -53.21 -42.91 66.79 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.095 0.474 . . . . 3.27 110.026 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -127.13 -53.72 1.39 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.709 1.374 . . . . 2.22 114.709 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.408 ' C ' ' H ' ' A' ' 75' ' ' SER . 10.5 m120 -114.04 14.63 18.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 115.325 1.602 . . . . 2.6 115.325 -159.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.655 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 5.9 p -65.18 14.06 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.046 1.128 . . . . 3.69 114.046 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.408 ' H ' ' C ' ' A' ' 73' ' ' ASN . 27.6 p -60.92 -41.5 96.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.924 -0.769 . . . . 2.97 108.924 171.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -170.13 99.75 0.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.914 -1.039 . . . . 2.76 108.915 173.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.82 149.06 29.64 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.373 -0.376 . . . . 1.35 110.232 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.458 ' HG2' ' HB2' ' A' ' 102' ' ' GLU . 35.9 mtmm -118.95 143.54 46.97 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.805 -0.442 . . . . 2.24 109.805 176.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.451 ' HB ' HG22 ' A' ' 103' ' ' VAL . 74.7 mt -130.98 142.41 43.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.22 -0.446 . . . . 1.23 110.111 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -108.65 123.36 48.85 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.77 -0.826 . . . . 1.98 108.77 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.0 mt -110.41 99.89 9.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.062 0.458 . . . . 1.2 110.022 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.757 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -93.17 136.37 33.5 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.275 -1.009 . . . . 2.19 108.275 178.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 82' ' ' LEU . 0.5 OUTLIER -163.22 164.33 25.13 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.035 0.445 . . . . 1.82 111.683 -178.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -93.76 101.37 13.48 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.542 -1.281 . . . . 2.04 107.542 167.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.457 ' HB3' HD11 ' A' ' 83' ' ' LEU . 51.9 tttp -174.42 145.07 0.97 Allowed Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.07 -0.345 . . . . 2.58 110.07 -177.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.02 118.52 5.59 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.867 1.712 . . . . 1.08 110.157 166.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.1 m -111.44 130.71 64.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.281 0.562 . . . . 1.8 111.529 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 m -100.24 154.85 36.99 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 1.62 110.279 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.411 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 81.9 Cg_exo -47.56 -51.36 9.79 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.733 2.289 . . . . 1.38 112.796 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.49 -36.05 75.29 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.335 -0.393 . . . . 2.43 111.013 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.18 -38.94 93.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 4.04 110.543 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.408 ' HB2' HG23 ' A' ' 105' ' ' VAL . 31.4 tt0 -66.3 -45.74 79.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.521 . . . . 1.46 110.29 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 28.9 mmmt -73.32 -17.86 61.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 3.58 110.182 -178.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -71.48 -45.82 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.812 -0.631 . . . . 2.86 109.969 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.16 -30.67 60.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.629 -0.714 . . . . 1.77 109.589 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -33.15 75.15 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.381 -0.827 . . . . 2.77 109.306 174.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -79.85 -28.1 40.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.222 -0.445 . . . . 3.34 110.72 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -70.06 -39.61 75.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 3.82 111.039 -177.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.473 ' HB2' ' HB2' ' A' ' 66' ' ' ASP . . . -119.99 138.43 53.49 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.359 -0.608 . . . . 1.19 109.359 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -77.94 96.92 5.15 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 118.827 -1.149 . . . . 1.77 108.287 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.08 149.92 0.93 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.56 -1.2 . . . . 1.2 108.945 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.458 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 63.4 mm-40 -81.05 89.58 5.95 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.031 -0.729 . . . . 1.77 109.031 173.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.451 HG22 ' HB ' ' A' ' 79' ' ' ILE . 3.5 p -90.67 144.93 8.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.708 -0.678 . . . . 1.66 110.463 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 106' ' ' ARG . 17.5 ptp180 -121.39 115.5 23.02 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.129 -0.941 . . . . 3.21 109.005 173.223 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.408 HG23 ' HB2' ' A' ' 92' ' ' GLU . 14.4 m -91.48 125.69 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 109.007 -0.738 . . . . 1.33 109.007 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 104' ' ' ARG . 78.6 mmt-85 -127.98 143.16 51.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.449 . . . . 3.2 111.045 -174.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.1 t -119.56 139.12 52.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.6 -0.727 . . . . 1.25 109.93 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 m -125.38 167.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.01 0.433 . . . . 1.93 111.04 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.2 p -123.53 0.36 8.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.796 -0.638 . . . . 1.68 110.062 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.1 p -165.48 153.74 10.23 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 115.835 -0.621 . . . . 1.09 111.038 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -47.21 -49.75 12.32 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.333 2.689 . . . . 0.7 114.554 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.537 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 27.3 t70 -62.29 -30.22 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.677 0.621 . . . . 2.04 112.677 -169.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.0 -42.32 98.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.798 0.332 . . . . 2.21 110.579 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.9 86.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 1.27 110.391 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.537 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 8.9 mtpm? -60.87 -36.48 79.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.599 -0.728 . . . . 1.97 110.53 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -66.83 -53.06 36.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.636 . . . . 4.92 110.832 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -56.87 -39.02 73.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.897 -0.592 . . . . 1.18 111.1 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.406 HG23 HD12 ' A' ' 47' ' ' LEU . 82.4 mt -61.67 -45.35 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 1.21 111.1 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -67.47 -45.26 76.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.556 -0.293 . . . . 3.07 110.978 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -64.67 -27.11 68.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.943 0.401 . . . . 2.48 111.296 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -80.7 -47.87 13.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 2.33 111.197 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 p -66.09 -32.64 74.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.319 -0.4 . . . . 1.88 110.88 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -102.95 38.28 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.164 0.507 . . . . 2.53 110.789 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.322 -0.847 . . . . 2.76 109.111 173.777 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.722 ' HA ' ' OD1' ' A' ' 73' ' ' ASN . 1.7 pmm? . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.883 -0.414 . . . . 2.65 109.883 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 m -76.7 123.52 26.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.75 0.31 . . . . 1.23 110.6 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 mt -104.65 128.05 52.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.459 . . . . 1.11 110.631 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -117.81 147.45 43.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.112 -0.494 . . . . 2.21 110.063 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' ' 49' ' ' LEU . 3.7 p -134.6 130.4 53.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.893 0.854 . . . . 1.71 110.79 172.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 58' ' ' LEU . 11.0 mp -115.23 159.11 21.37 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.477 -1.238 . . . . 1.75 109.051 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 13.3 tt -150.76 124.68 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 121.021 -0.271 . . . . 1.27 110.35 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD13 ' O ' ' A' ' 54' ' ' ASP . 5.7 tp -108.47 76.69 1.04 Allowed 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.318 -0.993 . . . . 1.88 108.318 173.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -150.95 145.66 25.74 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.375 -1.284 . . . . 1.57 108.602 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -126.39 88.19 2.79 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.433 -1.307 . . . . 3.28 110.811 168.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -119.34 129.5 54.88 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.627 -1.249 . . . . 1.57 107.627 160.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -66.21 -28.43 68.73 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 111.988 0.366 . . . . 3.5 111.988 -172.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -90.49 -35.81 14.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.871 0.367 . . . . 3.83 110.722 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.17 -46.3 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 2.15 110.03 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.36 -39.98 71.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.145 -0.48 . . . . 1.31 110.529 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.568 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 27.0 mm-40 -55.35 -62.1 1.9 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.239 -0.437 . . . . 2.15 110.939 174.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 38.2 mm-40 -57.95 -38.78 76.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 2.05 112.015 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.46 98.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 1.19 110.358 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.609 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 41.4 ttm180 -72.49 -27.43 62.26 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.787 -0.365 . . . . 3.54 110.627 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 69.7 mmtt -57.14 -40.93 78.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.198 0.523 . . . . 2.36 109.929 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.4 mmt -78.58 -48.5 15.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.629 -0.714 . . . . 2.32 111.068 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.26 77.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.002 0.371 . . . . 1.25 112.002 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.609 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -61.71 -51.51 68.11 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.243 -0.651 . . . . 2.41 109.243 178.659 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.466 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 1.4 mptm? -71.59 -24.05 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.723 -0.671 . . . . 4.01 111.078 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.79 -5.46 58.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.963 0.411 . . . . 1.25 110.743 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.2 m120 62.68 31.8 16.52 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.274 -0.875 . . . . 2.78 111.026 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.3 mt -86.66 138.34 31.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.78 -0.645 . . . . 1.32 109.886 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.7 mt -74.36 97.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.375 -0.602 . . . . 1.3 109.375 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.403 ' HA ' HG12 ' A' ' 25' ' ' VAL . 58.0 tp -86.18 125.14 33.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.702 -0.681 . . . . 1.77 110.891 -177.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mt -118.61 99.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.282 -0.636 . . . . 1.59 109.282 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 m -84.83 120.26 26.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.964 -0.562 . . . . 1.72 110.516 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.7 m -135.73 164.97 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.748 -0.205 . . . . 1.96 110.707 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -148.82 96.67 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.242 -0.98 . . . . 1.24 112.572 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.512 ' O ' HD13 ' A' ' 28' ' ' LEU . 19.9 t70 143.22 153.87 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.673 1.589 . . . . 1.98 108.321 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -62.78 -44.95 94.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.891 0.376 . . . . 2.21 110.879 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 75.7 mm-40 -70.14 -28.89 65.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.028 -0.533 . . . . 2.04 109.982 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -71.16 -33.78 70.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.53 . . . . 2.16 110.679 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.422 ' CD1' HD21 ' A' ' 26' ' ' LEU . 35.9 tp -65.91 -30.55 71.16 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.383 -0.599 . . . . 1.39 109.383 174.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.22 -18.82 64.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.365 0.602 . . . . 2.76 111.126 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 26.1 mmtp -84.37 -33.86 23.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.574 -0.739 . . . . 2.81 109.594 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.78 -43.51 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.789 . . . . 1.17 110.702 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.02 -50.1 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 1.48 110.745 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -65.93 -30.54 71.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.46 -0.336 . . . . 3.28 110.455 179.664 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.498 ' HZ2' ' HB2' ' A' ' 64' ' ' LYS . 4.2 ttmp? -67.8 -50.77 55.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 2.74 110.243 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.0 93.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 1.12 110.472 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.34 -46.67 76.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.661 -0.7 . . . . 1.36 110.809 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.06 -48.47 68.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.709 -0.678 . . . . 1.68 111.456 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.422 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 76.6 mt -61.99 -38.07 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.034 0.445 . . . . 1.27 110.682 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.54 -57.2 10.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 1.18 110.711 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 74' ' ' SER . 92.0 mttt -63.88 -24.88 67.91 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.234 -0.439 . . . . 2.02 111.415 -177.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 68' ' ' ILE . 59.0 tttm -51.75 -47.01 64.26 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 109.355 -0.609 . . . . 3.27 109.355 174.244 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -127.48 -58.01 1.27 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.184 1.55 . . . . 2.22 115.184 -175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.722 ' OD1' ' HA ' ' A' ' 21' ' ' MET . 5.4 t-20 -118.23 15.1 14.0 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 114.878 1.436 . . . . 2.6 114.878 -160.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.456 ' CB ' ' HA ' ' A' ' 70' ' ' LYS . 22.0 t -60.65 6.87 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.032 1.123 . . . . 3.69 114.032 -172.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 p -57.66 -36.34 71.76 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.044 -0.725 . . . . 2.97 109.044 168.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -143.38 114.23 7.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.366 -0.834 . . . . 2.76 109.281 167.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -118.81 109.84 16.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.174 -0.466 . . . . 1.35 110.34 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . 43.4 mttp -98.42 122.6 41.81 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.109 -0.496 . . . . 2.24 110.189 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.457 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 49.0 mt -124.98 134.46 66.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.991 -0.55 . . . . 1.23 109.932 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.0 tp -113.25 112.32 23.53 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.959 -0.385 . . . . 1.98 109.959 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 81.2 mt -101.0 112.78 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.743 -0.383 . . . . 1.2 110.076 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 91.9 mt -93.15 112.07 23.9 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.879 -0.415 . . . . 2.19 109.879 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.718 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.6 pt? -138.55 139.59 38.74 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.353 -0.24 . . . . 1.82 110.353 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.603 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 7.2 pt-20 -86.32 99.62 11.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 118.916 -1.114 . . . . 2.04 108.678 170.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.603 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 89.2 mttt -170.18 146.03 2.45 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 114.104 -1.407 . . . . 2.58 108.333 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.21 118.62 5.79 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.854 1.703 . . . . 1.08 110.741 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.5 m -114.71 135.32 54.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.284 0.564 . . . . 1.8 111.904 -172.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 m -101.06 157.53 33.49 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.604 -0.726 . . . . 1.62 110.012 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -49.18 -46.55 25.29 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.488 2.125 . . . . 1.38 112.369 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 42.8 tt0 -62.19 -35.23 78.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.029 -0.532 . . . . 2.43 110.973 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.93 -40.49 95.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.964 -0.384 . . . . 4.04 109.964 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.26 -45.32 93.7 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.965 -0.561 . . . . 1.46 110.184 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 42.6 mmtm -71.84 -18.14 62.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.629 -0.714 . . . . 3.58 111.773 -176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 30.4 mtpp -76.47 -43.32 40.28 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.976 -0.379 . . . . 2.86 109.976 174.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.16 -35.03 68.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.37 0.605 . . . . 1.77 109.522 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -70.17 -17.19 63.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.027 -0.988 . . . . 2.77 109.66 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.7 -40.82 24.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 3.34 110.523 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -64.76 -42.21 95.32 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.198 -0.456 . . . . 3.82 110.679 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.08 119.37 36.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.534 -0.543 . . . . 1.19 109.534 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -72.1 103.09 3.18 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.758 0.79 . . . . 1.77 108.894 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 77' ' ' ALA . . . -172.59 -167.95 0.48 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.085 -1.416 . . . . 1.2 109.303 -172.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -124.63 88.03 2.82 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.668 0.746 . . . . 1.77 109.049 172.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 7.4 p -89.85 138.29 19.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.255 -0.884 . . . . 1.66 110.445 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -104.84 100.46 10.08 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.893 -0.78 . . . . 3.21 108.893 173.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.38 124.12 32.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 119.798 -0.761 . . . . 1.33 109.21 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -125.06 135.07 52.37 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.29 -0.414 . . . . 3.2 110.964 -174.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.718 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 8.9 t -84.48 126.46 33.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.299 0.571 . . . . 1.25 110.332 177.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.569 ' O ' ' HB3' ' A' ' 84' ' ' GLU . 4.9 p -124.44 116.82 48.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.291 0.567 . . . . 1.93 111.562 -177.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.5 t -126.12 6.87 7.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.265 0.555 . . . . 1.68 110.235 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.7 m -154.2 135.13 8.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 1.09 110.031 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.66 -38.24 84.27 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.512 2.808 . . . . 0.7 113.479 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.412 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 38.5 m-20 -70.04 -40.72 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.642 0.258 . . . . 2.04 110.946 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -62.61 -40.39 96.8 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.787 -0.449 . . . . 2.21 109.787 176.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -58.24 -48.07 81.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.838 -0.619 . . . . 1.27 110.667 177.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.412 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 57.3 mtmt -61.64 -32.44 72.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 1.97 110.93 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.435 ' HD3' ' C ' ' A' ' 116' ' ' ARG . 1.9 tmt_? -68.32 -43.7 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 4.92 109.882 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -61.96 -44.02 97.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 1.18 110.745 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 114' ' ' ALA . 93.0 mt -61.5 -41.92 91.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.761 -0.654 . . . . 1.21 111.106 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -63.88 -43.17 96.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.486 -0.325 . . . . 3.07 110.356 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -60.81 -43.41 98.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.141 0.496 . . . . 2.48 110.82 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 78' ' ' LYS . 77.6 t80 -67.25 -44.57 79.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.581 -0.736 . . . . 2.33 111.53 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.0 m -71.03 -39.51 72.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.056 -0.52 . . . . 1.88 110.493 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -110.26 74.78 0.9 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.742 -0.663 . . . . 2.53 110.238 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.582 -0.723 . . . . 2.76 111.192 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.861 -0.422 . . . . 2.65 109.861 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.594 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -64.78 121.95 15.76 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.814 -0.354 . . . . 1.23 110.422 177.448 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 63.5 mt -111.41 105.6 14.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.3 0.572 . . . . 1.11 110.882 -176.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.594 ' CE1' ' HB ' ' A' ' 22' ' ' THR . 58.3 m-85 -103.99 143.97 32.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.657 -0.701 . . . . 2.21 109.608 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.402 HG11 ' HA ' ' A' ' 49' ' ' LEU . 2.7 p -131.57 116.58 32.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.657 0.742 . . . . 1.71 110.531 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mp -102.92 156.92 17.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.945 -1.025 . . . . 1.75 108.424 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.8 tt -150.25 124.28 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 121.019 -0.272 . . . . 1.27 111.192 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -114.67 79.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.982 -0.747 . . . . 1.88 108.982 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 t -149.56 144.05 25.98 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.903 -1.044 . . . . 1.57 108.483 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -124.86 88.17 2.84 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.576 -1.249 . . . . 3.28 110.773 168.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.481 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 28.5 t70 -119.36 137.39 53.75 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.876 -1.056 . . . . 1.57 108.246 162.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.57 -35.33 80.14 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 111.859 0.318 . . . . 3.5 111.859 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -85.52 -44.01 13.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.682 0.277 . . . . 3.83 110.635 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 6.3 tt -55.65 -48.51 74.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.948 -0.569 . . . . 2.15 110.434 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.58 -42.62 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 1.31 110.869 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 43.7 mm-40 -61.37 -56.89 15.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 2.15 111.123 176.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 43.3 mm-40 -59.94 -38.17 81.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.234 -0.439 . . . . 2.05 111.53 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.95 87.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.38 . . . . 1.19 110.744 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 15.0 ttm-85 -62.42 -45.07 94.78 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.378 -0.374 . . . . 3.54 110.659 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 98.1 mttt -53.17 -36.13 60.57 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.367 0.417 . . . . 2.36 111.698 -175.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 96.5 mmm -70.1 -53.32 17.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.528 -0.305 . . . . 2.32 110.964 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.58 64.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.706 0.289 . . . . 1.25 111.237 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -63.18 -53.48 52.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.733 -0.839 . . . . 2.41 108.733 177.08 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.527 ' HD3' ' O ' ' A' ' 44' ' ' LYS . 7.8 tmtm? -66.26 -37.52 85.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.956 -1.02 . . . . 4.01 109.946 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.97 -8.37 56.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 1.25 111.937 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.9 m120 61.91 43.84 8.89 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.693 -0.685 . . . . 2.78 111.497 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.8 mt -95.11 -179.32 4.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.946 -0.57 . . . . 1.32 109.929 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.8 mt -106.85 96.04 4.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.635 -0.506 . . . . 1.3 109.635 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' HA ' HG11 ' A' ' 25' ' ' VAL . 51.4 tp -93.63 123.81 37.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.751 -0.659 . . . . 1.77 110.935 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.7 102.55 14.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.298 -0.631 . . . . 1.59 109.298 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -77.05 99.74 5.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.27 0.557 . . . . 1.72 110.871 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.43 -170.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.683 . . . . 1.96 110.833 -178.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 54' ' ' ASP . . . -159.56 103.98 0.24 Allowed Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.948 -0.644 . . . . 1.24 112.111 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' HB3' ' O ' ' A' ' 53' ' ' GLY . 24.5 t70 100.22 156.41 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.097 1.359 . . . . 1.98 110.815 174.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 42.6 mt-10 -56.72 -34.86 67.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.714 0.292 . . . . 2.21 111.656 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.92 -39.71 79.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.878 0.37 . . . . 2.04 110.55 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -67.75 -30.77 70.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 2.16 110.075 175.295 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.95 -41.54 96.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.557 -0.747 . . . . 1.39 110.417 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 33.9 mtmt -55.69 -37.79 68.79 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.767 0.794 . . . . 2.76 110.893 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.456 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 22.0 mtpp -76.75 -42.96 39.05 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.434 -1.257 . . . . 2.81 110.987 -176.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.31 86.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.147 0.499 . . . . 1.17 109.879 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.406 HG23 ' HB1' ' A' ' 99' ' ' ALA . 20.3 mt -56.36 -49.74 75.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.083 -0.962 . . . . 1.48 111.634 177.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -67.55 -38.51 84.24 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.958 -0.297 . . . . 3.28 110.645 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 55.4 mtmt -64.76 -38.0 89.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.785 0.326 . . . . 2.74 110.588 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.52 69.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.005 0.431 . . . . 1.12 110.48 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -33.0 72.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.575 -0.739 . . . . 1.36 111.019 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.534 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 6.7 m-20 -67.06 -60.29 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.424 -0.353 . . . . 1.68 111.091 174.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.36 -37.83 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.22 -0.445 . . . . 1.27 111.345 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.425 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -55.58 -48.56 74.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.297 0.57 . . . . 1.18 111.355 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.594 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 91.0 mttt -86.32 -10.33 54.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.293 -0.867 . . . . 2.02 112.356 -170.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 68.3 mttm -68.67 -34.15 75.19 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.414 -0.587 . . . . 3.27 109.414 172.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -126.71 -53.5 1.44 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.881 1.437 . . . . 2.22 114.881 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -113.64 15.78 18.78 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.1 1.148 . . . . 2.6 114.1 -162.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.594 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -55.6 0.04 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 115.277 1.584 . . . . 3.69 115.277 -172.504 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.1 t -50.38 -39.03 45.66 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.894 -0.78 . . . . 2.97 108.894 169.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -170.08 140.25 1.95 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.189 -0.914 . . . . 2.76 109.098 170.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.12 142.0 40.16 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.187 -0.461 . . . . 1.35 110.619 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -126.43 136.44 52.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.237 -0.438 . . . . 2.24 110.102 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 68.3 mt -122.09 120.62 61.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.989 -0.55 . . . . 1.23 110.197 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD23 ' O ' ' A' ' 104' ' ' ARG . 0.3 OUTLIER -95.56 124.59 39.67 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.627 -0.879 . . . . 1.98 108.627 175.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.459 ' HB ' HG13 ' A' ' 105' ' ' VAL . 72.9 mt -116.09 101.26 11.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 120.937 0.399 . . . . 1.2 110.319 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 8.7 mp -81.57 128.14 33.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.997 -0.547 . . . . 2.19 109.827 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.503 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.2 pt? -152.59 149.78 28.82 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 110.04 -0.356 . . . . 1.82 110.04 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -104.48 101.08 10.76 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 121.987 0.899 . . . . 2.04 110.012 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -172.5 165.23 3.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 114.342 -1.299 . . . . 2.58 108.669 172.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.28 123.52 10.66 Favored 'Trans proline' 0 CA--C 1.516 -0.401 0 C-N-CA 122.319 2.013 . . . . 1.08 111.773 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.3 t -132.47 119.03 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.593 -0.731 . . . . 1.8 111.27 -176.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 p -99.89 166.36 12.92 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.434 -0.58 . . . . 1.62 109.434 173.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -46.64 -41.54 24.12 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.667 2.245 . . . . 1.38 113.322 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 31.7 tt0 -56.86 -36.07 69.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.345 -0.389 . . . . 2.43 111.078 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -69.9 -41.23 74.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.427 -0.351 . . . . 4.04 111.275 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.05 -35.52 71.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.332 0.587 . . . . 1.46 110.189 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.556 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 60.9 tttp -69.24 -34.39 74.73 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.384 -0.826 . . . . 3.58 110.155 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.56 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 62.4 mttm -63.08 -42.67 99.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.136 0.493 . . . . 2.86 109.89 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.423 ' HB3' HG12 ' A' ' 103' ' ' VAL . 3.9 mm? -72.03 -36.23 69.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.823 -0.626 . . . . 1.77 110.739 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -64.11 -25.92 68.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.954 0.407 . . . . 2.77 110.086 172.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.556 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 61.7 mtpt -74.4 -40.5 61.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 3.34 111.556 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -71.86 -51.48 22.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.864 0.364 . . . . 3.82 111.049 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HB1' HG23 ' A' ' 62' ' ' ILE . . . -94.88 132.54 39.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.294 -0.412 . . . . 1.19 110.448 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -90.29 95.61 10.27 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 118.858 -1.137 . . . . 1.77 109.11 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.12 -177.81 0.62 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.385 -1.734 . . . . 1.2 107.67 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -87.78 91.49 8.77 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.667 -0.813 . . . . 1.77 109.417 170.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 95' ' ' LEU . 7.4 t -82.27 134.25 27.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.367 -0.833 . . . . 1.66 111.308 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.481 ' O ' HD23 ' A' ' 80' ' ' LEU . 57.5 mtm180 -127.16 105.11 8.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.609 -0.723 . . . . 3.21 109.274 172.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.459 HG13 ' HB ' ' A' ' 81' ' ' ILE . 27.6 m -88.55 111.11 22.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-O 121.588 0.708 . . . . 1.33 110.2 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.615 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 6.4 mmp_? -104.33 119.22 38.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.913 -0.585 . . . . 3.2 110.411 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 6.4 t -77.13 99.4 5.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.848 0.832 . . . . 1.25 109.948 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -94.41 145.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.71 -0.677 . . . . 1.93 110.605 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -127.85 -9.86 5.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.002 -0.545 . . . . 1.68 111.516 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -155.31 154.87 29.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 119.572 -0.252 . . . . 1.09 110.917 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.448 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 80.3 Cg_exo -45.78 -51.52 8.13 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.208 2.605 . . . . 0.7 113.344 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.94 -30.15 68.87 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.436 -0.347 . . . . 2.04 111.677 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -69.54 -41.26 76.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.916 0.388 . . . . 2.21 109.977 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.52 -46.19 91.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 1.27 110.505 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 46.6 mtpt -65.27 -30.73 71.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.584 -0.734 . . . . 1.97 110.923 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.438 ' NH2' ' HD3' ' A' ' 119' ' ' LYS . 6.6 tpm_? -60.65 -49.16 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 4.92 110.841 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -77.48 -38.06 49.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.968 -0.56 . . . . 1.18 111.651 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.12 -29.49 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.032 0.444 . . . . 1.21 110.657 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.438 ' HD3' ' NH2' ' A' ' 116' ' ' ARG . 63.5 tttp -67.73 -52.56 36.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 3.07 111.106 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -19.26 63.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 2.48 111.02 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 34.3 t80 -71.5 -35.57 70.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.138 -0.483 . . . . 2.33 110.592 177.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 p -96.25 -9.09 31.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.876 -0.602 . . . . 1.88 111.025 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -125.28 79.06 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.138 -0.483 . . . . 2.53 110.817 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.664 -0.684 . . . . 2.76 109.871 175.207 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.549 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 53.1 ttp . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.272 -0.27 . . . . 2.65 110.272 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 m -102.96 139.64 38.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.811 0.339 . . . . 1.23 110.211 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.6 mt -109.44 125.23 52.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.093 -0.503 . . . . 1.11 110.448 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 54.7 m-85 -115.81 147.51 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.194 -0.457 . . . . 2.21 110.461 -178.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 t -132.84 117.67 30.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.332 -0.395 . . . . 1.71 110.168 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 26' ' ' LEU . 2.3 mm? -98.32 159.75 14.74 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.532 -1.285 . . . . 1.75 107.532 168.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.709 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 15.9 tt -150.32 122.95 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.07 -0.652 . . . . 1.27 111.828 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 HD11 HD12 ' A' ' 58' ' ' LEU . 2.5 mp -110.41 80.08 1.27 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.666 -0.864 . . . . 1.88 108.666 167.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.43 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 67.1 m -149.22 144.41 26.53 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.263 -1.335 . . . . 1.57 108.805 175.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -144.75 90.41 2.07 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 118.732 -1.187 . . . . 3.28 112.335 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.563 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 9.6 t70 -118.06 142.44 47.39 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.721 -1.585 . . . . 1.57 106.721 155.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.552 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 13.4 mptt -58.59 -46.74 86.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 119.116 0.871 . . . . 3.5 110.871 -175.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -70.11 -42.51 72.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 3.83 110.33 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.624 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 46.2 tp -52.0 -52.0 53.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.405 -0.816 . . . . 2.15 111.152 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.26 -35.5 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.908 -0.587 . . . . 1.31 110.93 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 49.1 mt-10 -61.38 -62.44 1.83 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.575 -0.284 . . . . 2.15 110.304 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' HB3' ' HD3' ' A' ' 115' ' ' LYS . 44.7 mt-10 -57.97 -33.07 68.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 2.05 111.192 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.57 -55.64 14.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 1.19 110.957 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -65.75 -41.43 92.16 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.629 -0.428 . . . . 3.54 111.009 -177.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 66.2 mttm -48.48 -40.26 25.87 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.211 0.319 . . . . 2.36 111.65 -177.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.544 ' SD ' ' HD3' ' A' ' 119' ' ' LYS . 16.8 mmt -70.32 -47.76 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.331 -0.395 . . . . 2.32 111.065 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . . . -71.22 -26.98 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.028 0.442 . . . . 1.25 110.908 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.71 -40.51 88.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.913 0.863 . . . . 2.41 109.032 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -78.63 -34.85 46.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.433 -1.258 . . . . 4.01 110.828 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.482 ' HB2' ' OG ' ' A' ' 122' ' ' SER . . . -83.5 -5.33 59.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.713 -0.676 . . . . 1.25 111.769 -176.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 61.42 46.79 7.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.514 -0.766 . . . . 2.78 111.296 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.408 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 35.0 mt -101.3 155.21 18.17 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.711 -0.478 . . . . 1.32 109.711 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.6 mt -86.45 89.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.483 0.658 . . . . 1.3 109.886 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.7 tp -95.15 120.91 36.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.016 -0.993 . . . . 1.77 110.271 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.9 mt -111.03 103.37 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.628 -0.508 . . . . 1.59 109.628 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.426 ' HA ' ' CG2' ' A' ' 27' ' ' ILE . 3.3 m -83.0 108.95 16.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 1.72 110.64 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.415 HG12 ' HB3' ' A' ' 61' ' ' ALA . 28.3 m -123.24 -177.38 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.388 -0.597 . . . . 1.96 109.388 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.458 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -163.09 93.26 0.11 Allowed Glycine 0 N--CA 1.44 -1.059 0 C-N-CA 120.122 -1.037 . . . . 1.24 111.972 171.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 32.5 t70 164.83 150.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 124.245 1.018 . . . . 1.98 108.592 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -65.14 -42.34 93.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.191 0.441 . . . . 2.21 112.191 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 28.8 mm-40 -80.86 -39.2 26.87 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.157 -0.474 . . . . 2.04 110.11 -176.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 54' ' ' ASP . 41.3 tt0 -59.89 -34.08 72.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 2.16 110.643 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.413 HD12 HD11 ' A' ' 28' ' ' LEU . 63.4 tp -59.54 -42.11 91.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 1.39 110.371 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -66.26 -20.06 66.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.604 . . . . 2.76 110.919 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 5.5 mmmm -86.58 -47.05 9.56 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.321 -0.854 . . . . 2.81 109.95 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HB3' HG12 ' A' ' 52' ' ' VAL . . . -62.29 -42.42 99.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.482 -0.781 . . . . 1.17 110.456 176.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.6 mt -58.4 -45.53 89.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.405 -0.816 . . . . 1.48 111.082 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -67.77 -32.29 72.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 3.28 110.414 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.601 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.7 tttp -61.39 -48.7 80.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 2.74 110.019 173.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.27 92.17 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.073 -0.512 . . . . 1.12 110.542 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -54.74 -49.46 70.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.315 -0.857 . . . . 1.36 110.505 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 29.7 t70 -63.6 -48.18 78.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.521 -0.763 . . . . 1.68 111.658 -178.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.601 HG13 ' O ' ' A' ' 64' ' ' LYS . 82.8 mt -53.3 -49.23 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.911 0.386 . . . . 1.27 111.526 -175.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.551 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -75.53 -48.7 21.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 1.18 111.663 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.563 ' HA ' ' CB ' ' A' ' 74' ' ' SER . 35.5 ttmt -61.03 -28.81 69.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.766 0.654 . . . . 2.02 112.766 -170.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 64.0 mtpt -58.91 -38.81 79.78 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.612 -0.435 . . . . 3.27 110.468 178.23 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.409 ' HG2' ' N ' ' A' ' 73' ' ' ASN . 12.7 pm0 -125.26 -52.54 1.63 Allowed 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.503 1.297 . . . . 2.22 114.503 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' C ' ' H ' ' A' ' 75' ' ' SER . 9.8 p30 -112.09 13.45 20.64 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 114.935 1.457 . . . . 2.6 114.935 -159.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.563 ' CB ' ' HA ' ' A' ' 70' ' ' LYS . 3.1 p -65.55 14.21 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.583 0.957 . . . . 3.69 113.583 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.423 ' H ' ' C ' ' A' ' 73' ' ' ASN . 4.9 m -58.22 -33.46 69.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.318 -0.623 . . . . 2.97 109.318 170.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -166.24 100.51 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.064 -0.971 . . . . 2.76 109.469 172.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.419 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . -119.1 141.23 48.97 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.046 -0.525 . . . . 1.35 109.83 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.549 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 54.7 mtmt -124.66 136.79 54.21 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.894 -0.41 . . . . 2.24 109.894 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.1 mt -133.18 136.61 54.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.074 -0.512 . . . . 1.23 111.096 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.5 mt -105.87 142.2 35.99 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 109.9 -0.407 . . . . 1.98 109.9 171.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.59 97.72 6.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.2 -1.037 . . . . 1.2 108.2 163.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.709 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.2 tm? -75.77 111.02 10.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.865 -1.061 . . . . 2.19 108.834 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.8 158.13 43.91 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.84 -0.537 . . . . 1.82 111.959 -175.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.65 101.77 11.39 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.125 -1.065 . . . . 2.04 108.125 173.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -175.81 148.38 0.97 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.821 -1.081 . . . . 2.58 108.527 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -67.27 118.76 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.703 1.602 . . . . 1.08 110.68 170.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.43 138.94 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.146 0.498 . . . . 1.8 111.626 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -100.89 150.28 36.9 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.874 -0.603 . . . . 1.62 110.203 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.29 -45.57 33.18 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.399 2.066 . . . . 1.38 112.362 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -60.42 -40.57 91.49 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.183 -0.462 . . . . 2.43 110.232 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -60.81 -36.62 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 4.04 110.896 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.7 -32.76 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.08 0.467 . . . . 1.46 111.126 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -73.69 -21.94 60.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.379 -0.601 . . . . 3.58 109.379 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -68.1 -33.6 74.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.878 -0.601 . . . . 2.86 110.138 174.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.414 ' CB ' HG13 ' A' ' 103' ' ' VAL . 3.3 mm? -75.27 -33.84 61.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.941 -0.392 . . . . 1.77 109.941 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 -66.09 -25.45 67.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.441 0.639 . . . . 2.77 109.51 171.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -76.15 -29.42 57.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 3.34 111.118 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -73.48 -50.53 21.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.851 0.358 . . . . 3.82 110.957 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.32 129.36 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.058 -0.519 . . . . 1.19 110.126 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -83.66 101.43 11.51 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.754 -0.832 . . . . 1.77 108.754 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -175.62 -169.62 0.36 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.148 -1.387 . . . . 1.2 107.278 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -97.33 88.98 4.58 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 119.56 -0.856 . . . . 1.77 108.919 171.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.414 HG13 ' CB ' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -84.42 123.85 39.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.77 -1.105 . . . . 1.66 110.639 -178.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -120.61 108.79 14.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.462 -0.79 . . . . 3.21 109.087 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.1 133.85 28.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-O 120.987 0.422 . . . . 1.33 109.916 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.503 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 11.9 mmm180 -113.89 112.79 23.92 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.868 -0.333 . . . . 3.2 110.157 -175.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.3 t -84.14 134.78 34.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.119 -0.491 . . . . 1.25 109.961 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.44 157.01 42.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.208 0.527 . . . . 1.93 111.396 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.7 p -128.4 -13.06 4.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.355 -0.838 . . . . 1.68 110.37 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 56.4 m -153.72 148.25 19.4 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.014 -0.539 . . . . 1.09 110.22 -178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.624 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 74.9 Cg_exo -52.8 -29.59 43.39 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 124.389 3.393 . . . . 0.7 114.27 -173.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.487 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 6.2 m-20 -63.82 -42.82 97.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.442 -0.344 . . . . 2.04 111.309 -176.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 13.4 mm-40 -77.38 -30.29 53.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.441 -0.345 . . . . 2.21 110.163 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.27 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 1.27 110.587 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 64.5 pttt -67.92 -26.79 66.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.035 -0.53 . . . . 1.97 110.307 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.438 ' HB3' ' O ' ' A' ' 113' ' ' GLU . 72.9 ttt180 -60.42 -57.45 12.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.669 -0.696 . . . . 4.92 111.417 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.503 ' CD1' ' HB3' ' A' ' 106' ' ' ARG . 9.3 m95 -57.78 -38.56 75.66 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.449 -0.341 . . . . 1.18 111.194 -174.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.69 -42.63 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 1.21 111.643 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.544 ' HD3' ' SD ' ' A' ' 41' ' ' MET . 9.3 mtmp? -70.42 -42.74 71.2 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.97 -0.292 . . . . 3.07 111.169 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -67.9 -28.96 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.735 0.303 . . . . 2.48 110.669 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -74.97 -30.96 61.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.86 -0.609 . . . . 2.33 110.891 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.482 ' OG ' ' HB2' ' A' ' 45' ' ' ALA . 33.6 t -79.32 -38.51 35.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.978 -0.555 . . . . 1.88 110.386 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.9 74.95 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.182 -0.463 . . . . 2.53 110.321 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.019 -0.991 . . . . 2.76 110.376 175.777 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.22 -0.289 . . . . 2.65 110.22 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 m -89.12 138.92 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.987 -0.285 . . . . 1.23 110.27 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 58.2 mt -108.63 112.22 24.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.271 -0.422 . . . . 1.11 110.398 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' HB2' HG12 ' A' ' 79' ' ' ILE . 48.9 m-85 -105.88 148.75 27.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 2.21 109.532 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -137.19 132.84 46.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-O 121.635 0.731 . . . . 1.71 110.988 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.4 mp -116.53 158.6 23.39 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.734 -1.121 . . . . 1.75 109.106 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.4 tt -150.54 111.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.466 -0.333 . . . . 1.27 110.233 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 54' ' ' ASP . 10.2 tp -98.88 78.31 2.29 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.828 0.823 . . . . 1.88 109.028 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -150.71 144.87 25.44 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.639 -1.164 . . . . 1.57 108.193 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.405 ' OD1' ' HA3' ' A' ' 53' ' ' GLY . 18.3 m120 -121.7 86.08 2.52 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 117.975 -1.49 . . . . 3.28 110.19 166.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.556 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 21.2 t70 -120.84 130.25 53.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.639 -1.164 . . . . 1.57 108.694 164.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 46.4 mttp -62.42 -29.64 70.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.604 0.594 . . . . 3.5 112.604 -176.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.453 ' HZ1' ' HB3' ' A' ' 33' ' ' LYS . 8.2 ttpm? -84.53 -47.43 10.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.916 0.389 . . . . 3.83 110.66 -177.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 18.0 tp -57.72 -50.04 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 2.15 111.478 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.6 mt -59.54 -39.86 80.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.363 -0.38 . . . . 1.31 111.327 -176.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 47.8 mm-40 -58.4 -56.92 15.9 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.969 -0.292 . . . . 2.15 110.996 177.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -62.09 -40.62 96.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.766 0.317 . . . . 2.05 111.125 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.74 94.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 1.19 110.686 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -67.27 -48.8 66.63 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 120.509 -0.476 . . . . 3.54 110.875 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 94.8 mttt -48.93 -47.87 43.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.152 0.501 . . . . 2.36 110.955 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 tpt -62.28 -43.05 99.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.535 -0.757 . . . . 2.32 111.958 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.66 -29.73 23.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 1.25 111.502 -177.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.46 -44.86 95.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.946 -0.57 . . . . 2.41 109.976 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -11.47 57.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.846 -0.615 . . . . 4.01 111.343 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.38 2.06 54.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.936 0.398 . . . . 1.25 110.538 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.6 40.18 20.49 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.287 -0.87 . . . . 2.78 110.759 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 21.8 mt -95.98 156.68 16.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.932 -0.576 . . . . 1.32 109.662 177.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.9 mt -90.29 92.82 4.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.338 0.589 . . . . 1.3 109.512 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.1 tp -91.25 128.88 37.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 1.77 110.762 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.76 98.91 6.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.234 -0.654 . . . . 1.59 109.234 175.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -80.17 119.83 23.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.029 -0.532 . . . . 1.72 110.455 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 3.4 m -135.38 140.26 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.325 -0.398 . . . . 1.96 110.536 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -129.54 95.38 0.36 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 119.76 -1.21 . . . . 1.24 112.392 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.564 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 17.1 t70 152.83 145.63 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.121 1.368 . . . . 1.98 108.42 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -49.52 66.31 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.05 0.452 . . . . 2.21 111.493 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 11.4 mm-40 -67.77 -33.83 75.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.839 -0.619 . . . . 2.04 110.712 -175.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 22.7 mm-40 -64.21 -30.84 71.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 2.16 111.732 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 33.9 tp -63.61 -39.06 93.4 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.479 -0.563 . . . . 1.39 109.479 176.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -60.48 -30.44 69.69 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.445 0.641 . . . . 2.76 110.616 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 6.1 mmmm -76.66 -44.93 31.85 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.953 -1.021 . . . . 2.81 110.458 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.95 96.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 1.17 110.217 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -58.06 -47.85 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.37 -0.832 . . . . 1.48 110.805 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -71.32 -32.34 68.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.484 -0.326 . . . . 3.28 111.075 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' O ' HG13 ' A' ' 68' ' ' ILE . 25.0 ttmm -64.17 -44.78 91.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 2.74 109.979 176.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.41 99.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 1.12 110.232 175.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.76 -40.96 69.9 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.407 -0.815 . . . . 1.36 110.901 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.55 -49.91 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 1.68 111.457 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 64' ' ' LYS . 77.0 mt -61.54 -39.14 81.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.788 0.327 . . . . 1.27 111.003 -177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.6 -58.08 10.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 1.18 110.821 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.625 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 90.2 mttt -63.89 -31.9 73.24 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.21 -0.45 . . . . 2.02 111.419 -177.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -49.88 -44.59 50.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.908 -0.587 . . . . 3.27 110.264 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 9.9 pt20 -125.3 -55.39 1.56 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.685 1.365 . . . . 2.22 114.685 -176.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.436 ' N ' ' HG3' ' A' ' 72' ' ' GLN . 1.7 t-20 -117.02 15.61 15.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 115.243 1.572 . . . . 2.6 115.243 -159.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.625 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 3.9 p -60.32 12.67 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 115.242 1.571 . . . . 3.69 115.242 -172.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 m -61.81 -36.58 81.56 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.595 -0.891 . . . . 2.97 108.595 168.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -157.35 112.19 2.73 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.965 -1.016 . . . . 2.76 109.352 173.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.95 127.2 56.15 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.266 -0.424 . . . . 1.35 109.999 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -118.94 122.1 41.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.991 0.424 . . . . 2.24 109.87 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 46.2 mt -119.31 140.3 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.847 -0.615 . . . . 1.23 110.362 -176.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.04 115.24 28.04 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.858 -0.793 . . . . 1.98 108.858 173.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.1 mt -104.1 105.74 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.072 0.463 . . . . 1.2 110.883 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.52 HD22 ' HB2' ' A' ' 106' ' ' ARG . 73.3 mt -88.37 143.48 26.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.015 -0.735 . . . . 2.19 109.015 173.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -167.28 166.81 14.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.377 -0.231 . . . . 1.82 110.377 177.706 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 29.0 mt-10 -102.75 102.19 12.33 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.2 -1.037 . . . . 2.04 108.2 169.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -174.6 132.24 0.49 Allowed Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.156 -0.475 . . . . 2.58 110.125 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.35 117.7 4.72 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.562 1.508 . . . . 1.08 109.852 168.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.6 m -121.15 128.07 75.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.189 0.519 . . . . 1.8 112.165 -173.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 m -91.92 156.93 42.05 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.837 -0.619 . . . . 1.62 109.529 174.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -45.55 -41.41 18.55 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.118 2.545 . . . . 1.38 113.787 -176.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.57 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 42.3 mt-10 -62.71 -32.9 74.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.441 -0.345 . . . . 2.43 111.697 -178.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -69.04 -30.65 69.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 4.04 110.709 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -68.02 -38.7 82.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.393 -0.595 . . . . 1.46 109.393 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -73.39 -27.05 61.26 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.525 -0.761 . . . . 3.58 110.672 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 30.3 mtpp -62.34 -51.29 68.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.077 0.465 . . . . 2.86 109.79 174.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.8 mt -69.71 -36.09 75.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.623 . . . . 1.77 110.343 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -66.09 -24.58 66.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.698 -0.683 . . . . 2.77 110.046 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -80.38 -29.01 37.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.249 -0.432 . . . . 3.34 111.365 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.89 -46.35 45.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 3.82 110.838 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.06 133.87 51.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.095 -0.502 . . . . 1.19 109.964 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.53 101.64 5.73 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.61 -0.885 . . . . 1.77 108.61 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.67 -177.31 0.96 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.259 -1.337 . . . . 1.2 108.568 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.458 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 5.2 pt-20 -115.6 89.66 3.15 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.751 0.786 . . . . 1.77 109.239 169.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.434 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 9.9 p -86.33 144.82 8.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.718 -0.674 . . . . 1.66 110.713 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.34 116.0 27.54 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.361 -0.977 . . . . 3.21 108.361 170.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.5 m -87.47 134.35 27.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 120.42 -0.512 . . . . 1.33 109.738 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.52 ' HB2' HD22 ' A' ' 82' ' ' LEU . 29.8 mmt180 -132.49 137.74 47.31 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.302 -0.259 . . . . 3.2 110.302 -178.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 10.0 t -91.01 128.96 37.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.211 0.529 . . . . 1.25 109.843 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.414 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 13.2 m -117.83 107.76 22.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.66 0.743 . . . . 1.93 110.931 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.8 p -105.01 1.88 29.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.692 -0.685 . . . . 1.68 110.717 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.6 m -154.22 152.26 26.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.829 -0.623 . . . . 1.09 109.928 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.486 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 78.5 Cg_exo -51.78 -45.51 37.8 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.638 2.226 . . . . 0.7 112.726 -178.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.442 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 8.9 m-20 -60.84 -32.34 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.675 -0.693 . . . . 2.04 111.811 -175.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -56.7 -44.02 81.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.391 . . . . 2.21 110.742 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.92 -58.11 8.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.532 -0.758 . . . . 1.27 111.731 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 65.6 pttt -64.59 -28.68 69.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 1.97 111.281 -174.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -62.8 -49.75 73.72 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.117 -0.492 . . . . 4.92 110.699 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -63.46 -42.77 98.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.171 -0.468 . . . . 1.18 110.439 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.6 mt -56.82 -38.61 59.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.806 -0.634 . . . . 1.21 111.337 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -59.16 -45.21 91.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 3.07 111.133 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -80.89 -18.5 47.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.17 -0.468 . . . . 2.48 111.248 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.413 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 80.7 t80 -81.11 -42.2 21.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.946 -0.57 . . . . 2.33 111.169 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.5 p -77.12 -43.79 32.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.539 -0.301 . . . . 1.88 111.07 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.09 109.93 21.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.68 0.276 . . . . 2.53 110.501 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.474 -0.774 . . . . 2.76 109.786 175.765 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.538 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 1.5 pmm? . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.598 0.237 . . . . 2.65 110.71 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.402 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 13.2 m -95.62 143.38 26.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.688 -0.486 . . . . 1.23 109.688 172.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.37 114.23 28.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.019 0.438 . . . . 1.11 110.743 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.418 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 65.6 m-85 -109.77 136.71 48.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.925 -0.58 . . . . 2.21 109.826 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 91.2 t -117.96 128.63 75.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.452 0.644 . . . . 1.71 110.334 176.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD23 ' CD1' ' A' ' 58' ' ' LEU . 11.2 mp -114.01 151.77 31.93 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.489 -0.93 . . . . 1.75 108.489 173.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.7 tt -143.0 117.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 109.82 -0.437 . . . . 1.27 109.82 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 54' ' ' ASP . 7.8 tp -111.56 79.72 1.24 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.809 0.814 . . . . 1.88 109.462 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -149.37 144.13 26.21 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 107.442 -1.318 . . . . 1.57 107.442 171.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -113.8 84.94 2.11 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 117.622 -1.631 . . . . 3.28 110.046 169.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 9.2 t70 -121.53 129.26 52.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.681 -1.6 . . . . 1.57 107.924 166.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -65.53 -29.81 70.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.345 0.498 . . . . 3.5 112.345 -171.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -89.08 -42.93 11.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.872 0.368 . . . . 3.83 110.3 -176.761 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.612 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 16.3 tp -56.58 -48.19 77.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 2.15 110.934 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.6 mt -58.84 -38.25 71.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 116.04 -0.527 . . . . 1.31 111.263 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.6 mm-40 -67.01 -60.0 3.0 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.826 -0.35 . . . . 2.15 111.301 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 32.8 mm-40 -59.46 -31.74 69.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.868 0.322 . . . . 2.05 111.868 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.03 79.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.376 . . . . 1.19 110.405 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 32.9 ttm180 -76.89 -26.44 54.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.453 -0.34 . . . . 3.54 110.907 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 70.0 mmtt -54.17 -47.72 71.69 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.472 0.653 . . . . 2.36 109.395 173.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.5 mmm -71.36 -47.9 53.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.094 -0.957 . . . . 2.32 110.856 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.06 -42.65 89.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.702 0.63 . . . . 1.25 112.702 -174.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 5.4 mm-40 -57.39 -41.52 80.44 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.984 0.421 . . . . 2.41 110.411 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.526 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 1.5 mptm? -77.69 -29.01 51.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.735 -0.666 . . . . 4.01 111.118 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.74 5.3 25.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.445 -0.343 . . . . 1.25 111.755 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 61.44 33.25 18.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.969 -0.559 . . . . 2.78 110.598 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.406 ' CD1' HG21 ' A' ' 118' ' ' ILE . 90.5 mt -100.79 132.04 46.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.039 -0.528 . . . . 1.32 110.372 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -79.95 93.73 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.347 -0.612 . . . . 1.3 109.347 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.593 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -99.14 124.91 44.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.008 -0.542 . . . . 1.77 110.466 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.4 ' N ' HD11 ' A' ' 50' ' ' ILE . 4.5 mp -107.8 109.12 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.943 -0.572 . . . . 1.59 109.734 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.88 116.16 17.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.067 -0.515 . . . . 1.72 111.535 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 m -136.45 142.08 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 1.96 110.23 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.573 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -135.21 93.44 0.24 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 119.539 -1.315 . . . . 1.24 111.656 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.573 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 16.2 t70 151.63 139.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.854 1.262 . . . . 1.98 107.652 -176.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -63.67 -23.92 67.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.669 0.271 . . . . 2.21 111.062 -175.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 10.1 mm-40 -84.33 -33.43 23.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.513 -0.312 . . . . 2.04 110.873 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.63 -32.12 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.833 -0.347 . . . . 2.16 110.264 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.435 ' CD1' HD23 ' A' ' 26' ' ' LEU . 28.4 tp -63.69 -36.16 82.92 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.946 -0.391 . . . . 1.39 109.946 176.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 34.5 mmtm -58.93 -30.46 67.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.528 0.68 . . . . 2.76 110.481 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.2 mmmt -84.97 -40.31 17.08 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.054 -0.975 . . . . 2.81 110.569 -175.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.92 85.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.873 -0.603 . . . . 1.17 110.841 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 58' ' ' LEU . 83.2 mt -57.81 -50.67 76.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 1.48 111.114 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.35 -31.77 71.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 3.28 110.665 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.418 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.5 tttp -64.49 -46.59 82.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 2.74 109.911 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.64 86.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.799 -0.637 . . . . 1.12 110.612 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 8.6 t70 -56.48 -54.14 49.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.591 -0.731 . . . . 1.36 110.404 176.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.461 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 6.9 m-20 -59.84 -48.27 82.35 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.971 -0.559 . . . . 1.68 111.934 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 64' ' ' LYS . 76.5 mt -58.96 -36.6 62.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 120.901 0.382 . . . . 1.27 111.074 -176.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.418 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -66.43 -44.33 83.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.922 -0.581 . . . . 1.18 111.538 -178.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 29.6 mmtp -70.47 -31.44 68.57 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 116.302 -0.408 . . . . 2.02 111.549 -172.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 30.3 mtpp -52.03 -42.48 63.1 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.57 0.544 . . . . 3.27 110.418 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -124.88 -50.89 1.7 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.435 1.272 . . . . 2.22 114.435 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 75' ' ' SER . 7.3 t-20 -114.15 17.43 17.7 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.767 1.395 . . . . 2.6 114.767 -159.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.6 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 2.8 p -59.59 12.52 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.748 1.388 . . . . 3.69 114.748 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 73' ' ' ASN . 18.2 m -58.33 -31.95 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.744 -0.835 . . . . 2.97 108.744 166.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' A' ' 21' ' ' MET . 27.4 tt0 -170.15 146.84 3.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.013 -0.994 . . . . 2.76 109.167 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.4 125.11 25.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.968 0.414 . . . . 1.35 110.757 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.484 ' HE3' ' NH2' ' A' ' 104' ' ' ARG . 39.4 mttp -111.8 122.4 47.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.936 -0.575 . . . . 2.24 109.818 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.452 ' HB ' HG23 ' A' ' 103' ' ' VAL . 55.9 mt -124.25 128.86 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.302 -0.408 . . . . 1.23 110.124 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 tp -111.76 115.29 28.83 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.865 -0.42 . . . . 1.98 109.865 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.0 mt -102.19 99.85 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.101 -0.24 . . . . 1.2 110.649 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 46.5 mt -90.7 99.18 12.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.956 0.408 . . . . 2.19 110.133 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.428 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.9 OUTLIER -120.69 165.23 15.36 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 122.305 -0.247 . . . . 1.82 110.433 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.19 100.74 10.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.981 -1.118 . . . . 2.04 107.981 171.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -175.42 137.81 0.54 Allowed Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 114.896 -1.047 . . . . 2.58 109.26 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.21 119.31 6.33 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 121.776 1.651 . . . . 1.08 110.024 168.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.4 m -124.25 145.24 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.572 0.701 . . . . 1.8 112.485 -172.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.0 t -100.51 144.58 28.75 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 114.999 -1.0 . . . . 1.62 109.252 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.08 -17.26 30.72 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.473 2.782 . . . . 1.38 112.731 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 13.8 tp10 -64.68 -44.7 89.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.979 0.418 . . . . 2.43 110.211 174.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -71.2 -28.08 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 4.04 110.196 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.31 -42.9 99.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.848 -0.615 . . . . 1.46 109.667 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.07 -29.94 69.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.73 -0.668 . . . . 3.58 110.503 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 57.0 mttm -70.72 -43.74 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.373 -0.376 . . . . 2.86 110.219 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.7 mt -72.87 -34.9 67.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.048 0.451 . . . . 1.77 110.344 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 96' ' ' GLN . 1.0 OUTLIER -66.37 -27.06 67.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.79 -0.641 . . . . 2.77 109.551 176.249 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -80.17 -21.19 43.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.919 -0.582 . . . . 3.34 111.137 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -74.83 -42.71 57.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 3.82 110.414 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.35 132.99 56.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.927 -0.579 . . . . 1.19 109.907 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.89 101.55 5.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.969 -0.752 . . . . 1.77 108.969 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.5 -170.15 0.4 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.18 -1.373 . . . . 1.2 108.53 -175.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 4.7 pt-20 -116.35 89.08 3.03 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.776 0.798 . . . . 1.77 109.193 167.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.452 HG23 ' HB ' ' A' ' 79' ' ' ILE . 5.3 p -82.43 136.87 22.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.486 0.66 . . . . 1.66 109.802 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.484 ' NH2' ' HE3' ' A' ' 78' ' ' LYS . 97.2 mtt180 -114.79 99.78 7.75 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.454 -0.943 . . . . 3.21 108.454 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 m -72.94 136.68 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.135 -0.691 . . . . 1.33 109.135 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.508 ' HB3' HD22 ' A' ' 82' ' ' LEU . 15.1 tpp180 -138.94 127.78 23.53 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.788 0.328 . . . . 3.2 110.716 -174.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 15.1 t -90.47 126.36 35.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.193 0.52 . . . . 1.25 110.054 177.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.6 m -114.73 143.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.159 -0.473 . . . . 1.93 110.415 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -107.53 -39.66 5.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.097 -0.502 . . . . 1.68 111.768 -178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.0 m -134.4 160.55 68.06 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 119.416 -0.326 . . . . 1.09 110.624 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 81.1 Cg_exo -47.66 -46.65 20.37 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.873 2.382 . . . . 0.7 113.237 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.03 -29.59 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 2.04 111.706 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 28.5 mm-40 -63.64 -40.18 96.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.72 0.295 . . . . 2.21 110.518 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.402 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.65 -47.93 81.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.856 -0.424 . . . . 1.27 109.856 176.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -57.29 -42.66 82.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.646 -0.706 . . . . 1.97 110.349 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 113' ' ' GLU . 54.9 ttt180 -51.13 -56.23 13.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.107 -0.951 . . . . 4.92 111.53 175.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -71.77 -34.65 69.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 1.18 111.492 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.406 HG21 ' CD1' ' A' ' 47' ' ' LEU . 57.3 mt -58.15 -49.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.519 -0.309 . . . . 1.21 111.427 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.3 -40.4 93.74 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.921 -0.312 . . . . 3.07 110.841 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.09 -30.16 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 2.48 111.125 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -75.74 -33.36 60.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.211 -0.45 . . . . 2.33 110.161 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 m -68.28 -43.38 77.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.687 -0.688 . . . . 1.88 110.235 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -98.0 74.12 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.046 -0.525 . . . . 2.53 110.012 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.456 ' HG3' HH12 ' A' ' 104' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.967 0 N-CA-C 108.998 -0.741 . . . . 2.76 108.998 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.442 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 1.6 pmm? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.006 -0.368 . . . . 2.65 110.006 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 m -98.57 130.49 45.12 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.256 -0.578 . . . . 1.23 110.148 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -105.3 130.07 53.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.289 -0.414 . . . . 1.11 110.25 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.637 ' CE2' ' HB3' ' A' ' 69' ' ' ALA . 61.1 m-85 -117.83 152.15 35.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.151 -0.477 . . . . 2.21 110.99 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.42 124.37 48.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 121.766 0.793 . . . . 1.71 110.196 171.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.542 HD23 ' CD1' ' A' ' 58' ' ' LEU . 8.5 mp -105.67 152.8 22.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.659 -1.155 . . . . 1.75 109.041 175.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.49 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 5.6 tp -139.57 108.88 3.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 109.759 -0.46 . . . . 1.27 109.759 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.441 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 7.4 tp -97.21 76.44 2.63 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 119.294 -0.963 . . . . 1.88 108.606 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -149.58 141.78 24.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.813 -1.539 . . . . 1.57 108.223 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -114.09 84.75 2.09 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 117.538 -1.665 . . . . 3.28 109.928 166.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 14.3 t70 -122.1 118.79 29.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.284 -1.326 . . . . 1.57 107.996 164.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 45.6 mtmt -65.4 -24.37 67.2 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 111.808 0.299 . . . . 3.5 111.808 -174.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.43 ' HZ1' ' CG ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -83.75 -39.13 20.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.46 . . . . 3.83 109.981 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.576 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 14.8 tp -64.81 -51.63 61.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 2.15 111.016 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.7 mt -51.81 -36.69 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 O-C-N 123.787 0.679 . . . . 1.31 110.743 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 15.6 mm-40 -59.46 -56.97 15.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.999 -0.546 . . . . 2.15 111.284 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -73.37 -30.19 63.14 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.804 -0.358 . . . . 2.05 111.34 -175.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.2 86.75 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.103 -0.703 . . . . 1.19 109.103 173.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.8 ttm-85 -71.09 -46.18 62.29 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.479 -0.782 . . . . 3.54 110.236 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 24.7 mmtp -55.6 -46.21 77.33 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.977 0.418 . . . . 2.36 110.377 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.468 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 1.1 tpt -66.06 -44.92 83.13 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.741 -0.663 . . . . 2.32 110.992 -178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.27 -27.64 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 1.25 111.396 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.5 tm-20 -63.59 -44.06 95.12 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.496 -0.927 . . . . 2.41 108.496 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 93.1 mttt -72.84 -24.01 60.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.728 -1.124 . . . . 4.01 111.133 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.66 -1.99 58.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 1.25 111.548 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.5 m120 62.31 35.35 15.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.864 -0.607 . . . . 2.78 111.495 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 69.8 mt -96.63 148.61 22.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.643 -0.708 . . . . 1.32 110.246 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.481 ' HB ' ' CD1' ' A' ' 24' ' ' PHE . 4.9 mm -79.66 107.58 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.342 -0.614 . . . . 1.3 109.342 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 39' ' ' ARG . 39.8 tp -90.91 129.63 36.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.867 0.365 . . . . 1.77 111.073 -178.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.42 107.95 22.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 1.59 109.706 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 p -81.93 126.53 32.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.671 -0.695 . . . . 1.72 110.184 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 4.1 p -153.45 141.0 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.572 -0.285 . . . . 1.96 110.692 -175.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.49 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -140.19 96.38 0.21 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.195 -1.003 . . . . 1.24 112.465 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.49 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.7 t70 152.25 141.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.435 1.494 . . . . 1.98 107.358 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -71.17 -28.73 64.46 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.829 0.347 . . . . 2.21 111.322 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.1 mm-40 -80.61 -32.59 36.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.981 -0.748 . . . . 2.04 108.981 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.433 ' CG ' ' HB3' ' A' ' 54' ' ' ASP . 19.5 mm-40 -71.55 -24.94 62.03 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.535 -0.757 . . . . 2.16 110.653 176.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.542 ' CD1' HD23 ' A' ' 26' ' ' LEU . 52.6 tp -65.55 -34.63 78.71 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.427 -0.582 . . . . 1.39 109.427 174.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 59.6 mttm -60.36 -27.26 67.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.581 0.705 . . . . 2.76 110.273 174.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -88.7 -38.0 15.09 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.049 -0.978 . . . . 2.81 110.712 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.67 91.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.391 . . . . 1.17 110.835 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.28 -46.79 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.03 -0.532 . . . . 1.48 110.581 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -66.76 -34.98 79.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.397 . . . . 3.28 110.599 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' HG13 ' A' ' 68' ' ' ILE . 87.0 tttt -57.49 -44.09 84.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 2.74 110.353 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.77 -41.5 71.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.619 . . . . 1.12 110.971 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -52.84 -46.97 68.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.807 -0.633 . . . . 1.36 111.068 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.31 -40.84 90.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 1.68 111.616 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 64' ' ' LYS . 82.3 mt -61.82 -43.23 97.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.081 0.467 . . . . 1.27 110.456 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.637 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -73.84 -57.51 3.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 1.18 112.095 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.624 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 21.3 ttmm -69.02 -29.03 67.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.393 -0.822 . . . . 2.02 112.629 -163.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -64.58 -31.8 73.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 3.27 110.903 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -122.35 -50.54 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.709 1.003 . . . . 2.22 113.709 -172.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -111.03 17.66 20.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.85 0.357 . . . . 2.6 111.821 -166.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.624 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 96.9 p -52.39 -3.89 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.191 1.552 . . . . 3.69 115.191 -172.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -51.48 -36.81 46.01 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.371 -0.603 . . . . 2.97 109.371 173.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HB3' ' HB3' ' A' ' 21' ' ' MET . 28.9 tt0 -159.46 130.19 5.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.633 -0.712 . . . . 2.76 109.687 170.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.05 123.04 39.48 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.195 -0.457 . . . . 1.35 109.953 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -126.54 133.66 51.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.842 0.353 . . . . 2.24 110.227 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.403 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 58.1 mt -125.23 131.33 72.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.054 -0.521 . . . . 1.23 110.166 -177.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.74 108.55 20.08 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.179 -0.674 . . . . 1.98 109.179 176.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.433 ' HB ' HG13 ' A' ' 105' ' ' VAL . 76.2 mt -94.72 108.15 20.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.176 -0.61 . . . . 1.2 110.036 175.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.49 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 88.7 mt -91.87 120.05 32.2 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.254 -0.647 . . . . 2.19 109.254 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.56 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.2 pt? -140.81 155.33 46.4 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.669 -0.241 . . . . 1.82 110.456 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -107.08 99.4 8.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.884 0.85 . . . . 2.04 110.241 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -174.81 163.97 2.41 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 114.067 -1.424 . . . . 2.58 108.199 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.65 119.6 6.64 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 121.796 1.664 . . . . 1.08 111.172 170.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.0 m -124.52 130.38 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.278 0.561 . . . . 1.8 111.396 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.3 p -100.18 167.96 10.16 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 1.62 109.767 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.04 -31.01 88.86 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 121.749 1.633 . . . . 1.38 111.443 172.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.77 -33.09 68.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.075 -0.511 . . . . 2.43 110.589 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -65.72 -45.63 81.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.472 -0.566 . . . . 4.04 109.472 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.84 -43.02 99.68 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.845 -0.616 . . . . 1.46 110.324 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -58.03 -35.26 71.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.02 -0.536 . . . . 3.58 110.88 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -65.17 -36.76 85.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.25 -0.432 . . . . 2.86 110.944 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.2 mt -86.5 -35.23 19.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.201 0.524 . . . . 1.77 110.603 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.582 ' HA ' ' CG1' ' A' ' 103' ' ' VAL . 64.7 tt0 -69.41 -27.66 65.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.582 -0.735 . . . . 2.77 110.661 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -81.32 -27.17 35.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.49 -0.323 . . . . 3.34 110.925 172.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.92 -45.88 90.4 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.88 0.371 . . . . 3.82 111.195 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.51 154.05 26.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.212 -0.449 . . . . 1.19 110.55 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -92.15 99.01 11.89 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.81 -0.811 . . . . 1.77 108.81 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.96 -175.42 0.59 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.091 -1.413 . . . . 1.2 107.509 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -109.4 87.66 2.55 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.332 -0.988 . . . . 1.77 108.332 167.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.582 ' CG1' ' HA ' ' A' ' 96' ' ' GLN . 3.3 p -98.59 122.04 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 115.409 -0.814 . . . . 1.66 110.503 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -113.01 131.16 55.88 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.068 -0.969 . . . . 3.21 108.962 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.433 HG13 ' HB ' ' A' ' 81' ' ' ILE . 3.4 m -113.78 129.84 68.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.251 0.548 . . . . 1.33 110.216 -173.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.445 ' HB2' HD22 ' A' ' 82' ' ' LEU . 2.4 mmp_? -121.09 137.02 54.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.019 -0.537 . . . . 3.2 110.317 -176.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.56 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 5.3 t -87.56 115.81 25.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.382 0.611 . . . . 1.25 110.366 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.5 m -118.33 122.29 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.969 -0.56 . . . . 1.93 111.026 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.2 p -105.47 1.67 27.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.183 -0.462 . . . . 1.68 111.786 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 m -153.53 157.16 32.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 O-C-N 122.4 -0.188 . . . . 1.09 110.934 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.576 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 82.4 Cg_exo -50.31 -52.97 7.89 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.093 2.529 . . . . 0.7 113.452 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.33 -29.0 70.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 2.04 111.651 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.78 -47.38 86.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.158 0.504 . . . . 2.21 109.824 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -64.77 -47.61 77.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 1.27 110.77 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -56.55 -36.76 69.64 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.777 -0.647 . . . . 1.97 110.811 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.4 -58.03 9.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.683 -0.689 . . . . 4.92 111.166 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -66.13 -31.52 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 1.18 111.843 -173.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.3 mt -59.42 -45.49 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.922 0.391 . . . . 1.21 110.52 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.493 ' HB2' ' HZ1' ' A' ' 119' ' ' LYS . 10.1 mtmp? -73.1 -28.01 62.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 3.07 111.142 -179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -71.71 -44.93 63.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.945 0.402 . . . . 2.48 110.383 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -63.92 -28.82 70.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.837 -0.619 . . . . 2.33 110.96 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.8 m -64.4 -30.05 71.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.054 0.455 . . . . 1.88 110.656 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -91.57 7.4 41.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.008 -0.542 . . . . 2.53 111.363 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.397 -0.811 . . . . 2.76 110.025 177.814 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.479 ' SD ' ' HG3' ' A' ' 78' ' ' LYS . 40.3 ttm . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.833 -0.432 . . . . 2.65 109.833 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 m -104.32 132.48 50.52 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.013 -0.365 . . . . 1.23 110.013 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -99.75 123.75 44.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.09 0.471 . . . . 1.11 110.82 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.474 ' CE1' ' HB3' ' A' ' 69' ' ' ALA . 57.9 m-85 -111.39 141.46 44.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.73 -0.668 . . . . 2.21 109.95 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.9 t -121.22 106.81 19.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.166 0.508 . . . . 1.71 110.348 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.439 ' HB2' HG12 ' A' ' 81' ' ' ILE . 7.9 mp -95.32 141.43 28.9 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.651 -0.87 . . . . 1.75 108.651 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.67 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 12.2 tt -148.38 128.09 4.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.104 -0.638 . . . . 1.27 112.574 -174.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 28' ' ' LEU . 6.2 mp -115.94 80.95 1.52 Allowed 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.251 -0.648 . . . . 1.88 109.251 171.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -149.17 88.69 1.6 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.634 -0.876 . . . . 1.57 108.634 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -86.23 85.68 7.34 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.028 -1.469 . . . . 3.28 110.711 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.579 ' OD2' ' HG3' ' A' ' 33' ' ' LYS . 23.8 t70 -121.11 137.05 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.106 -1.406 . . . . 1.57 107.745 163.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -55.66 28.37 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 119.067 0.849 . . . . 3.5 111.536 -171.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.579 ' HG3' ' OD2' ' A' ' 31' ' ' ASP . 13.3 pttp -64.77 -36.19 83.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 3.83 111.593 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.514 ' CD2' ' HA ' ' A' ' 111' ' ' PRO . 3.0 tm? -56.24 -53.95 51.14 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.724 0.297 . . . . 2.15 110.338 175.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.55 -36.79 75.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 1.31 110.705 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.627 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 6.5 mm-40 -59.24 -61.47 2.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 2.15 110.889 175.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.519 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 54.0 mm-40 -58.32 -41.86 85.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.356 -0.383 . . . . 2.05 111.996 -177.362 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.91 93.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 1.19 111.111 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -69.51 -38.99 77.84 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 120.862 -0.335 . . . . 3.54 110.894 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.627 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 65.5 mttm -56.13 -31.32 63.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 2.36 110.847 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.2 tpp -75.7 -56.18 4.94 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.218 -0.446 . . . . 2.32 111.216 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.23 71.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.307 0.484 . . . . 1.25 112.307 -174.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.32 -51.08 71.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.305 0.574 . . . . 2.41 109.459 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -66.1 -30.9 71.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.039 -0.982 . . . . 4.01 110.715 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.56 -3.76 39.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 1.25 111.493 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.2 t30 67.35 43.23 2.03 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.581 -0.736 . . . . 2.78 110.491 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -107.2 155.97 19.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.539 -0.755 . . . . 1.32 109.214 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mt -94.77 96.1 5.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.151 0.5 . . . . 1.3 109.852 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tt -89.87 133.01 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.838 -0.619 . . . . 1.77 109.912 -178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.3 mm -118.76 102.21 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.053 -0.521 . . . . 1.59 110.24 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.81 120.38 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 1.72 110.463 175.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.438 HG12 ' HB1' ' A' ' 61' ' ' ALA . 4.5 m -127.48 -178.12 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.104 0.478 . . . . 1.96 111.454 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -135.98 99.06 0.3 Allowed Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.54 -0.755 . . . . 1.24 112.415 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.507 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 6.4 m-20 87.04 162.56 0.08 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.0 0.92 . . . . 1.98 111.343 170.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 2.4 mp0 -47.93 -41.94 26.04 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.352 0.407 . . . . 2.21 111.359 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.79 -50.27 72.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.526 -0.761 . . . . 2.04 111.106 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.424 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 31.5 mm-40 -70.22 -28.74 65.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.557 -0.292 . . . . 2.16 111.021 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 62' ' ' ILE . 60.5 tp -63.88 -41.07 97.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.326 -0.397 . . . . 1.39 110.033 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 67.6 mttm -56.2 -32.2 64.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.311 0.577 . . . . 2.76 111.149 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 6.8 mmpt? -84.32 -31.32 24.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.346 -0.843 . . . . 2.81 110.421 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB1' HG12 ' A' ' 52' ' ' VAL . . . -71.65 -37.1 70.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 1.17 110.087 175.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 58' ' ' LEU . 95.6 mt -59.51 -51.4 73.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.595 -0.729 . . . . 1.48 110.611 177.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -71.25 -29.06 64.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.47 -0.332 . . . . 3.28 110.571 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 68' ' ' ILE . 85.3 tttt -65.38 -48.25 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 2.74 110.171 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.79 99.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 1.12 110.237 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.87 -34.79 68.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.372 -0.831 . . . . 1.36 110.861 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 38.7 t70 -83.68 -42.67 16.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.788 -0.642 . . . . 1.68 111.755 -175.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LYS . 77.4 mt -67.43 -40.4 84.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.167 0.508 . . . . 1.27 110.684 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.474 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . . . -65.95 -60.31 2.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.685 -0.689 . . . . 1.18 111.262 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.408 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 23.1 ttmt -64.61 -23.96 67.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.806 -1.088 . . . . 2.02 111.509 -174.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 87.6 tttt -42.77 -50.2 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.182 0.927 . . . . 3.27 111.22 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.83 -60.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.508 1.299 . . . . 2.22 114.508 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -118.71 -41.04 2.82 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.228 0.825 . . . . 2.6 113.228 -171.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.453 ' HG ' ' HB1' ' A' ' 77' ' ' ALA . 14.5 t -83.73 24.47 0.87 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.106 -0.952 . . . . 3.69 113.272 -162.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.9 m -45.98 -24.6 0.44 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.051 0.389 . . . . 2.97 112.051 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -112.24 98.92 7.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.749 -1.204 . . . . 2.76 107.749 165.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.453 ' HB1' ' HG ' ' A' ' 74' ' ' SER . . . -112.61 168.69 9.45 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.821 -0.627 . . . . 1.35 110.981 -176.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.479 ' HG3' ' SD ' ' A' ' 21' ' ' MET . 44.0 mttm -129.89 126.19 37.36 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.374 -0.973 . . . . 2.24 108.374 172.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.446 ' HB ' HG21 ' A' ' 103' ' ' VAL . 62.0 mt -121.67 143.31 34.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.977 -0.556 . . . . 1.23 109.969 -172.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.449 HD22 ' O ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -112.18 124.34 52.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.04 -0.726 . . . . 1.98 109.04 176.23 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' A' ' 26' ' ' LEU . 80.3 mt -109.2 103.9 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.996 -0.372 . . . . 1.2 109.996 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.67 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 90.3 mt -99.33 140.51 33.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 2.19 109.953 176.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.434 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -163.44 156.05 18.27 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.67 -0.241 . . . . 1.82 110.722 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -99.41 99.17 10.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.493 -1.669 . . . . 2.04 106.493 171.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.416 ' HB3' HD11 ' A' ' 83' ' ' LEU . 24.5 ttmm -176.75 143.73 0.59 Allowed Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.234 -0.894 . . . . 2.58 109.527 -172.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.36 118.21 5.27 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.388 1.392 . . . . 1.08 110.621 170.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -130.93 143.8 39.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.174 0.512 . . . . 1.8 111.053 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -87.63 137.19 32.19 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.51 -0.768 . . . . 1.62 110.12 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.46 -20.68 41.88 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.921 2.414 . . . . 1.38 111.863 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.97 -42.27 66.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.297 -0.631 . . . . 2.43 109.297 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -66.92 -30.91 71.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.363 -0.835 . . . . 4.04 110.01 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.77 -40.86 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.768 -0.651 . . . . 1.46 110.82 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -81.78 -11.92 58.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.295 -0.412 . . . . 3.58 110.782 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.18 -46.91 39.18 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.294 -1.002 . . . . 2.86 108.294 171.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.414 ' HA ' ' CD1' ' A' ' 98' ' ' TYR . 9.2 mp -66.27 -38.51 87.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.0 -1.0 . . . . 1.77 110.581 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -67.7 -23.13 65.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 2.77 109.992 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -80.22 -38.48 31.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 3.34 111.394 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 20.4 m-85 -61.27 -50.05 74.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.807 0.337 . . . . 3.82 111.226 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.54 149.43 22.21 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.482 -0.562 . . . . 1.19 109.482 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -87.25 99.53 12.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.156 -1.053 . . . . 1.77 108.156 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.32 178.24 1.39 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.462 -1.245 . . . . 1.2 109.085 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -111.74 89.37 3.04 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.054 -0.721 . . . . 1.77 109.054 169.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.446 HG21 ' HB ' ' A' ' 79' ' ' ILE . 6.4 p -86.67 138.39 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 121.527 0.68 . . . . 1.66 110.386 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.449 ' O ' HD22 ' A' ' 80' ' ' LEU . 67.4 ttt180 -111.58 101.24 9.66 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.023 -0.989 . . . . 3.21 108.531 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.51 111.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 110.131 -0.322 . . . . 1.33 110.131 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -123.04 133.57 54.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.07 0.462 . . . . 3.2 111.06 -174.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.9 t -87.45 138.95 31.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.062 -0.517 . . . . 1.25 109.898 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.56 150.06 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.939 0.399 . . . . 1.93 110.559 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.1 p -117.52 -27.04 6.44 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.843 -0.617 . . . . 1.68 111.584 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.2 m -139.69 152.47 68.51 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 122.207 -0.308 . . . . 1.09 111.284 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.514 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 51.3 Cg_exo -53.1 -47.76 25.8 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.651 2.234 . . . . 0.7 113.495 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.59 -39.78 74.12 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.063 0.459 . . . . 2.04 111.012 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -63.24 -42.99 99.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.386 -0.825 . . . . 2.21 110.328 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.07 95.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.524 . . . . 1.27 110.521 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.519 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 54.6 mtpt -60.3 -37.14 79.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.918 -0.583 . . . . 1.97 110.281 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.97 -44.43 96.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.292 -0.867 . . . . 4.92 111.152 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -65.44 -43.97 88.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 1.18 110.594 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.02 -44.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.995 0.426 . . . . 1.21 110.43 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 123' ' ' GLU . 62.1 tttp -57.22 -51.05 70.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.616 -0.72 . . . . 3.07 110.728 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.0 -41.78 97.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 2.48 110.728 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -67.59 -30.82 70.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.758 -0.656 . . . . 2.33 111.026 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.7 t -75.67 -34.31 60.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.148 -0.478 . . . . 1.88 110.651 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 119' ' ' LYS . 44.7 mt-10 -74.95 -47.38 29.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.485 -0.325 . . . . 2.53 111.245 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 119.138 -0.458 . . . . 2.76 111.123 -176.31 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.782 0.325 . . . . 2.65 110.44 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.3 m -96.54 147.45 23.85 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.765 -0.458 . . . . 1.23 109.765 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.8 mt -113.46 120.58 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.05 0.452 . . . . 1.11 110.782 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.402 ' CE2' HD11 ' A' ' 48' ' ' ILE . 68.8 m-85 -111.15 149.31 31.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.995 -0.548 . . . . 2.21 110.153 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.438 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.5 p -142.02 122.4 11.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.509 0.671 . . . . 1.71 111.242 177.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.7 mm? -103.24 162.85 12.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.072 -0.967 . . . . 1.75 108.669 176.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.646 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.6 tt -150.23 118.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.233 0.457 . . . . 1.27 112.233 -175.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -107.56 79.81 1.33 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.504 0.669 . . . . 1.88 109.863 170.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -149.57 144.81 26.46 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.085 -1.08 . . . . 1.57 108.085 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -122.01 86.53 2.59 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.389 -1.324 . . . . 3.28 110.43 166.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.612 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.1 t70 -119.9 145.16 46.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.282 -1.327 . . . . 1.57 108.506 167.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -75.38 -32.23 60.72 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 111.791 0.293 . . . . 3.5 111.791 -173.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -82.62 -46.83 12.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.673 0.273 . . . . 3.83 110.675 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.612 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 38.6 tp -54.57 -51.28 65.76 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.885 -0.598 . . . . 2.15 111.22 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.2 mt -58.42 -39.66 75.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.714 0.292 . . . . 1.31 111.292 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 15.2 mm-40 -69.64 -56.31 7.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.544 -0.298 . . . . 2.15 111.313 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.85 -33.03 74.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.585 -0.279 . . . . 2.05 111.439 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.91 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.651 -0.25 . . . . 1.19 110.69 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -72.65 -34.42 67.24 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 120.222 -0.591 . . . . 3.54 110.785 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.623 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 68.9 mttm -61.41 -37.99 85.47 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.557 -0.457 . . . . 2.36 110.329 177.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.403 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 6.5 tpt -74.76 -47.38 31.3 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.309 -0.405 . . . . 2.32 110.335 176.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.445 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . . . -69.93 -31.19 68.82 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.367 0.506 . . . . 1.25 112.367 -175.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -65.9 -47.42 74.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.464 -0.569 . . . . 2.41 109.464 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.623 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 4.2 mptp? -73.6 -11.65 60.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.545 . . . . 4.01 110.377 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' ' 122' ' ' SER . . . -97.45 1.17 48.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.914 -0.585 . . . . 1.25 110.423 176.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 56.75 43.38 25.31 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.072 -0.967 . . . . 2.78 111.889 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 54.5 mt -104.5 141.7 35.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.925 -0.58 . . . . 1.32 109.943 178.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.402 HD11 ' CE2' ' A' ' 24' ' ' PHE . 40.3 mt -82.01 96.81 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.856 -0.424 . . . . 1.3 109.856 177.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' HA ' HG11 ' A' ' 25' ' ' VAL . 19.0 tp -92.89 111.98 23.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 1.77 111.336 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.477 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 5.2 mp -104.79 115.78 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.131 -0.486 . . . . 1.59 109.711 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.9 p -75.4 122.65 24.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.273 -0.421 . . . . 1.72 110.167 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 p -150.35 115.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.889 0.376 . . . . 1.96 110.855 -174.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -116.75 95.79 0.69 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 119.562 -1.304 . . . . 1.24 113.007 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 31.4 t70 161.71 146.01 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.707 1.203 . . . . 1.98 108.919 173.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -64.44 -47.36 79.35 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.945 0.339 . . . . 2.21 111.086 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 28.9 mm-40 -67.69 -37.82 82.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.153 -0.476 . . . . 2.04 110.01 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 68.7 mm-40 -65.26 -32.87 74.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.268 -0.424 . . . . 2.16 110.826 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.496 ' O ' HG13 ' A' ' 62' ' ' ILE . 58.1 tp -60.7 -44.23 96.81 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.686 -0.487 . . . . 1.39 109.686 175.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -56.49 -24.39 45.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.342 0.592 . . . . 2.76 111.002 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 45.0 mmtt -90.31 -33.82 15.96 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.294 -0.866 . . . . 2.81 110.024 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.88 60.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.705 . . . . 1.17 111.246 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -65.83 -34.37 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 120.304 -0.558 . . . . 1.48 109.902 177.048 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -65.34 -38.02 88.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 3.28 110.402 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -65.81 -41.29 92.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.92 -0.582 . . . . 2.74 110.198 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.32 97.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 1.12 110.193 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -56.69 -41.37 77.24 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.469 -0.787 . . . . 1.36 111.088 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.39 -50.54 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.616 -0.72 . . . . 1.68 111.116 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.2 mt -68.42 -35.51 70.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.286 -0.416 . . . . 1.27 110.93 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.488 ' O ' ' HB2' ' A' ' 74' ' ' SER . . . -66.57 -66.35 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.321 -0.4 . . . . 1.18 111.689 -178.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 68.2 mttm -66.55 -10.92 50.07 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 112.241 0.46 . . . . 2.02 112.241 -174.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -39.95 -54.49 2.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.025 0.828 . . . . 3.27 111.387 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' HG3' ' H ' ' A' ' 73' ' ' ASN . 21.3 pt20 -129.5 -61.4 1.02 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.341 1.237 . . . . 2.22 114.341 -173.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.408 ' H ' ' HG3' ' A' ' 72' ' ' GLN . 30.0 p-10 -118.67 -35.6 3.68 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.612 0.597 . . . . 2.6 112.612 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.488 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 46.1 m -76.05 23.31 0.14 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 3.69 112.95 -166.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.559 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 17.6 m -46.42 -27.96 1.23 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.774 0.43 . . . . 2.97 111.762 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -118.2 98.66 6.41 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.594 -0.891 . . . . 2.76 108.594 169.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' A' ' 101' ' ' ALA . . . -115.89 171.95 7.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.057 -0.519 . . . . 1.35 110.777 -176.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.485 ' HG2' ' OE1' ' A' ' 124' ' ' GLU . 0.1 OUTLIER -108.33 131.8 54.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.773 -0.825 . . . . 2.24 108.773 171.476 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mm -120.27 113.76 41.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.03 -0.359 . . . . 1.23 110.03 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.535 HD13 ' O ' ' A' ' 104' ' ' ARG . 26.7 tp -94.28 126.35 39.48 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.718 -0.475 . . . . 1.98 109.718 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 66.6 mt -112.44 99.73 9.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.492 -0.558 . . . . 1.2 109.492 174.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.646 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -92.63 110.49 21.92 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.41 -0.814 . . . . 2.19 109.463 -175.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.1 pp -145.37 177.87 8.51 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.78 0.324 . . . . 1.82 111.376 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.9 102.49 9.12 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.16 -1.052 . . . . 2.04 108.16 168.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 40.8 ttmt -173.73 130.46 0.53 Allowed Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 114.979 -1.009 . . . . 2.58 108.998 -176.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.68 118.81 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 121.952 1.768 . . . . 1.08 110.787 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.3 m -117.19 126.37 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.386 0.612 . . . . 1.8 111.663 -175.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.9 m -99.38 148.39 34.62 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.595 -0.73 . . . . 1.62 110.041 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -44.09 -46.01 11.49 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.045 2.496 . . . . 1.38 113.217 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.21 -41.91 89.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 2.43 111.188 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -67.73 -39.46 84.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.481 -0.327 . . . . 4.04 110.381 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.82 -35.55 80.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.294 0.568 . . . . 1.46 110.016 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -67.95 -34.02 75.77 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.515 -0.766 . . . . 3.58 110.097 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.24 -32.71 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 2.86 110.141 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.438 ' CD1' HG13 ' A' ' 105' ' ' VAL . 91.9 mt -73.5 -38.23 65.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.51 . . . . 1.77 110.079 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -68.32 -20.11 64.72 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.335 0.588 . . . . 2.77 109.826 172.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -79.44 -37.78 36.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.535 -0.757 . . . . 3.34 111.166 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.71 -48.59 76.46 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.912 0.387 . . . . 3.82 110.493 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.01 119.79 36.39 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.654 -0.498 . . . . 1.19 109.654 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -76.42 102.3 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.942 0.877 . . . . 1.77 110.083 -175.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 77' ' ' ALA . . . -174.88 -171.98 0.58 Allowed 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.522 -1.672 . . . . 1.2 106.925 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -99.34 92.1 5.26 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.409 -0.916 . . . . 1.77 109.19 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.6 t -82.14 118.03 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 114.868 -1.06 . . . . 1.66 110.236 -177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.535 ' O ' HD13 ' A' ' 80' ' ' LEU . 77.6 mtp180 -101.38 101.7 12.39 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.625 -0.716 . . . . 3.21 109.083 174.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.438 HG13 ' CD1' ' A' ' 95' ' ' LEU . 4.0 m -91.62 140.04 16.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 109.413 -0.588 . . . . 1.33 109.413 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -133.77 132.04 40.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.609 0.242 . . . . 3.2 111.495 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 6.4 t -100.61 122.56 43.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.986 -0.552 . . . . 1.25 109.782 174.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.16 145.29 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.247 0.546 . . . . 1.93 111.015 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.2 p -93.63 -29.93 15.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.624 -0.716 . . . . 1.68 111.387 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.5 m -149.35 160.42 34.6 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 116.366 -0.379 . . . . 1.09 110.572 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.522 ' HA ' HD11 ' A' ' 34' ' ' LEU . 95.6 Cg_exo -43.07 -44.02 9.62 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.397 2.731 . . . . 0.7 113.18 177.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -51.11 -42.45 60.68 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.29 -0.868 . . . . 2.04 112.418 -176.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.71 -49.19 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 2.21 110.972 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.91 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 1.27 111.332 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -52.38 -41.29 62.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.776 -0.647 . . . . 1.97 110.879 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -82.16 -32.12 30.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.475 . . . . 4.92 111.977 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -70.78 -39.5 73.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.663 0.268 . . . . 1.18 111.236 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.418 HG21 HD11 ' A' ' 47' ' ' LEU . 91.7 mt -61.45 -36.37 72.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.153 -0.476 . . . . 1.21 110.176 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -60.99 -51.37 69.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 3.07 110.973 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.6 -38.55 91.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 2.48 111.326 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -67.71 -44.57 77.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 2.33 111.311 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.435 ' CB ' ' HB1' ' A' ' 45' ' ' ALA . 11.5 p -69.48 -38.54 77.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.58 -0.282 . . . . 1.88 111.336 -177.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -87.54 21.56 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 2.53 111.012 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.485 ' OE1' ' HG2' ' A' ' 78' ' ' LYS . 28.5 tt0 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.647 -0.692 . . . . 2.76 109.727 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.757 0.313 . . . . 2.65 110.826 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.8 m -82.0 138.0 35.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.337 -0.616 . . . . 1.23 109.337 172.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HB2' HD22 ' A' ' 47' ' ' LEU . 85.5 mt -102.84 113.27 26.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.164 0.507 . . . . 1.11 110.462 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.487 ' CE1' HD12 ' A' ' 48' ' ' ILE . 57.0 m-85 -101.11 151.21 22.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.701 -0.681 . . . . 2.21 109.607 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.1 p -140.85 117.18 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.907 0.86 . . . . 1.71 110.984 176.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD23 HD13 ' A' ' 58' ' ' LEU . 7.5 mp -103.89 155.77 18.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.755 -1.112 . . . . 1.75 108.598 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.1 tt -146.93 109.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 C-N-CA 120.601 -0.44 . . . . 1.27 111.753 -175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.428 HD11 HD12 ' A' ' 58' ' ' LEU . 2.8 mp -96.31 82.47 3.42 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.625 0.726 . . . . 1.88 109.43 174.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.9 t -147.67 143.8 27.91 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.592 -1.185 . . . . 1.57 108.976 175.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -118.3 84.24 2.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.494 1.14 . . . . 3.28 109.272 164.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.483 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.2 t70 -122.15 163.18 19.98 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.072 -1.422 . . . . 1.57 108.011 169.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 46.9 mmtm -90.25 -34.06 15.91 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 118.643 0.656 . . . . 3.5 110.847 174.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -90.19 -43.05 10.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.672 -0.24 . . . . 3.83 111.092 -176.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.5 ' HG ' ' HA ' ' A' ' 111' ' ' PRO . 6.1 tt -56.56 -43.7 80.21 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.327 -0.397 . . . . 2.15 110.219 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.3 mt -60.32 -48.56 87.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 1.31 111.042 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 21.5 mm-40 -65.87 -45.5 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 2.15 111.703 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -58.49 -37.9 76.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.958 0.409 . . . . 2.05 110.679 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.25 -49.53 71.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 1.19 110.516 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -66.44 -37.45 85.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.365 -0.379 . . . . 3.54 111.611 -177.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 98.4 mttt -49.49 -47.77 48.37 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.987 0.422 . . . . 2.36 110.774 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 mmt -76.42 -52.23 10.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.946 -0.57 . . . . 2.32 111.045 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.409 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . . . -64.89 -39.52 93.65 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.493 0.553 . . . . 1.25 112.493 -172.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.05 -39.26 89.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.254 0.55 . . . . 2.41 109.811 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.443 ' HD2' ' C ' ' A' ' 44' ' ' LYS . 3.9 tmmm? -70.64 -33.22 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.634 -0.712 . . . . 4.01 109.251 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.54 14.72 4.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.671 -0.695 . . . . 1.25 111.048 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.7 p30 46.24 31.25 1.17 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.246 1.019 . . . . 2.78 112.624 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.421 HD22 ' HB2' ' A' ' 23' ' ' LEU . 42.0 mt -79.7 155.07 28.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.415 -0.587 . . . . 1.32 109.415 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.487 HD12 ' CE1' ' A' ' 24' ' ' PHE . 42.0 mt -91.27 92.31 3.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.252 0.549 . . . . 1.3 109.624 176.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.477 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 50.6 tp -84.68 117.06 23.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.184 -0.917 . . . . 1.77 110.416 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.9 mt -110.82 101.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.204 0.526 . . . . 1.59 109.693 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.5 p -80.01 100.81 8.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.71 -0.677 . . . . 1.72 111.431 -177.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.419 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 13.4 m -126.11 139.04 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.693 -0.685 . . . . 1.96 109.764 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.574 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -125.01 94.15 0.45 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 119.281 -1.437 . . . . 1.24 111.867 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.574 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 13.3 t70 158.8 148.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.734 -1.21 . . . . 1.98 107.734 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -71.99 -25.11 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.79 0.328 . . . . 2.21 110.775 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 10.5 mm-40 -82.16 -37.23 26.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.262 -0.426 . . . . 2.04 109.888 177.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.494 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -70.19 -25.85 63.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 2.16 110.655 177.056 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.429 HD13 HD23 ' A' ' 26' ' ' LEU . 63.0 tp -58.75 -43.13 90.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.272 -0.64 . . . . 1.39 109.272 171.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.29 -22.67 66.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.699 -0.682 . . . . 2.76 111.787 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 26.4 mmtp -84.23 -41.3 17.08 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.819 -0.628 . . . . 2.81 109.975 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.67 83.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.671 -0.695 . . . . 1.17 109.934 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.89 -46.1 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 1.48 111.107 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -61.74 -46.32 90.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.35 . . . . 3.28 111.318 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 68' ' ' ILE . 18.4 ptpt -72.28 -27.24 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.814 -0.355 . . . . 2.74 110.921 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.07 -45.42 85.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 1.12 110.068 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -61.68 -38.18 86.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 1.36 110.382 175.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.83 -50.86 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.538 -0.755 . . . . 1.68 111.195 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 64' ' ' LYS . 83.6 mt -64.52 -34.07 67.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-O 121.071 0.462 . . . . 1.27 110.632 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 74' ' ' SER . . . -63.93 -59.99 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.012 -0.54 . . . . 1.18 111.265 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -66.39 -12.48 57.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.676 0.621 . . . . 2.02 112.676 -175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -44.55 -48.57 10.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.978 0.799 . . . . 3.27 110.753 -175.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.488 ' HG3' ' H ' ' A' ' 73' ' ' ASN . 20.4 pt20 -128.86 -62.39 1.01 Allowed 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.846 1.054 . . . . 2.22 113.846 -177.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.488 ' H ' ' HG3' ' A' ' 72' ' ' GLN . 7.9 t30 -119.97 -40.02 2.77 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.567 0.58 . . . . 2.6 112.567 -176.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 15.9 m -70.96 21.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.946 1.461 . . . . 3.69 114.946 -162.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 p -47.9 -29.05 3.0 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 117.94 0.337 . . . . 2.97 111.154 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -111.47 98.59 7.57 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.336 -0.986 . . . . 2.76 108.336 167.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.99 -178.96 4.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.358 -0.383 . . . . 1.35 111.173 -174.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -127.99 134.55 49.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.007 -0.542 . . . . 2.24 109.84 177.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 59.2 mt -127.75 135.94 61.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.123 -0.489 . . . . 1.23 110.145 -177.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.36 123.56 48.54 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.93 -0.767 . . . . 1.98 108.93 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.421 HG23 HD21 ' A' ' 83' ' ' LEU . 86.7 mt -110.39 107.62 23.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.553 -0.536 . . . . 1.2 109.553 173.403 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.423 HD21 ' HB2' ' A' ' 106' ' ' ARG . 94.5 mt -92.35 99.74 12.44 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.562 -0.533 . . . . 2.19 109.562 175.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.606 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.7 pt? -124.43 137.86 54.41 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.581 -0.282 . . . . 1.82 110.778 -176.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 47.5 mt-10 -89.09 99.41 12.4 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 119.293 -0.963 . . . . 2.04 109.605 173.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -174.32 157.7 2.52 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 114.896 -1.047 . . . . 2.58 108.351 168.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.85 119.14 6.13 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 121.935 1.756 . . . . 1.08 110.878 172.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.11 140.65 42.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.227 0.537 . . . . 1.8 111.954 -176.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -101.07 148.86 35.69 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.42 -0.809 . . . . 1.62 109.284 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -48.96 -36.14 33.8 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.86 2.373 . . . . 1.38 113.007 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.35 -34.47 72.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.284 -0.416 . . . . 2.43 110.854 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -74.63 -31.86 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.651 -0.249 . . . . 4.04 111.18 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.73 -45.25 94.98 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.42 -0.585 . . . . 1.46 109.42 173.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.57 -27.82 69.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 3.58 110.793 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -76.47 -36.56 57.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.55 -0.295 . . . . 2.86 110.568 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.1 mt -77.16 -35.7 55.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.544 0.687 . . . . 1.77 109.534 174.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -67.93 -19.32 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.68 -1.145 . . . . 2.77 109.326 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -81.15 -40.25 24.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.018 -0.992 . . . . 3.34 111.506 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -62.98 -47.16 84.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.823 0.344 . . . . 3.82 111.271 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -104.45 147.85 27.11 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.507 -0.553 . . . . 1.19 109.507 177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -90.47 99.1 12.19 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.416 -0.957 . . . . 1.77 108.416 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.74 176.07 2.32 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 113.866 -1.515 . . . . 1.2 108.44 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -99.94 89.22 3.99 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.796 -0.816 . . . . 1.77 108.796 173.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 4.6 p -86.66 138.61 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 121.291 0.567 . . . . 1.66 109.965 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -117.91 100.52 7.62 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.278 -0.874 . . . . 3.21 108.649 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -78.47 129.19 37.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.285 -0.566 . . . . 1.33 109.778 -176.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.423 ' HB2' HD21 ' A' ' 82' ' ' LEU . 5.6 mmp_? -130.34 137.2 49.8 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.19 -0.319 . . . . 3.2 110.291 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 13.9 t -102.9 138.2 40.1 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.547 -0.538 . . . . 1.25 109.547 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 27.6 m -130.18 166.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.375 -0.375 . . . . 1.93 110.707 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.7 p -138.01 -7.46 1.61 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.32 -0.4 . . . . 1.68 111.576 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -151.91 144.58 16.92 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 111.936 0.347 . . . . 1.09 111.936 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.5 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 50.9 Cg_exo -37.06 -51.83 1.42 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 124.506 3.471 . . . . 0.7 114.886 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 2.5 m-20 -58.81 -32.09 69.05 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.172 0.434 . . . . 2.04 112.172 -175.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.75 -40.61 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.733 0.302 . . . . 2.21 110.508 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -59.8 -50.99 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.012 -0.54 . . . . 1.27 110.875 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.472 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 47.2 pttt -69.25 -27.88 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 1.97 111.062 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -62.01 -48.21 81.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.394 . . . . 4.92 110.584 174.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -67.26 -33.54 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 1.18 111.692 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.3 mt -61.49 -41.88 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.917 0.389 . . . . 1.21 110.436 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.75 -41.7 87.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 3.07 110.713 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.8 -23.09 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.773 -0.649 . . . . 2.48 111.044 -178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -90.96 -49.16 6.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.315 -0.402 . . . . 2.33 111.891 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 p -60.64 -65.68 0.65 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.071 0.397 . . . . 1.88 112.071 -172.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -84.73 -34.54 22.86 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.572 -0.451 . . . . 2.53 110.316 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.139 -0.934 . . . . 2.76 111.156 178.844 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.562 ' SD ' ' HB3' ' A' ' 76' ' ' GLU . 7.8 mmt . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.695 -0.483 . . . . 2.65 109.695 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.9 m -73.84 129.29 37.6 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.987 -0.375 . . . . 1.23 109.987 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 78' ' ' LYS . 77.3 mt -106.76 123.58 48.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.196 0.522 . . . . 1.11 111.063 -174.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.454 ' CE2' HD13 ' A' ' 48' ' ' ILE . 49.5 m-85 -114.37 151.23 33.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.612 -0.722 . . . . 2.21 109.957 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.4 p -144.52 120.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.574 0.702 . . . . 1.71 110.747 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 26' ' ' LEU . 6.2 mp -104.04 159.55 15.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.489 -0.93 . . . . 1.75 108.489 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.751 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.3 tt -150.45 120.58 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 120.515 -0.474 . . . . 1.27 112.173 -177.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.5 mp -106.66 81.53 1.59 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.542 -0.54 . . . . 1.88 109.542 167.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.407 ' OG ' HD21 ' A' ' 34' ' ' LEU . 41.5 t -148.41 144.03 27.19 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.707 -0.679 . . . . 1.57 109.171 171.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -126.77 85.94 2.44 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.94 -1.104 . . . . 3.28 110.326 164.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.577 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 22.8 t70 -121.19 134.88 55.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.14 -1.391 . . . . 1.57 107.709 162.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -66.26 -30.31 70.72 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.934 0.346 . . . . 3.5 111.934 -174.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -81.1 -49.47 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.828 0.347 . . . . 3.83 110.46 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 12.7 tp -57.43 -47.6 81.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.82 -0.627 . . . . 2.15 111.653 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.5 mt -57.07 -40.86 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.549 0.214 . . . . 1.31 110.925 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 39.5 mt-10 -65.89 -54.97 19.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.818 -0.353 . . . . 2.15 111.178 178.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.61 -39.71 85.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.66 0.266 . . . . 2.05 111.062 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.59 89.63 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.153 -0.476 . . . . 1.19 110.689 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 40.5 ttt180 -67.33 -43.9 80.44 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.498 -0.319 . . . . 3.54 110.741 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.7 mttm -54.84 -42.14 71.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.473 0.178 . . . . 2.36 111.332 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.8 mmt -61.64 -55.77 27.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.78 0.324 . . . . 2.32 110.579 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . . . -67.81 -29.54 68.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.957 -0.565 . . . . 1.25 111.729 -177.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 7.0 tp10 -63.04 -48.16 79.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.344 0.592 . . . . 2.41 109.56 -178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 5.2 mptp? -77.57 -24.93 49.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.47 -0.786 . . . . 4.01 110.912 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.46 -2.68 57.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 1.25 111.24 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 61.38 40.32 14.24 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.272 -0.876 . . . . 2.78 110.914 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.484 HD13 ' OG ' ' A' ' 122' ' ' SER . 29.8 mt -94.86 166.86 11.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.728 -0.669 . . . . 1.32 109.404 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.454 HD13 ' CE2' ' A' ' 24' ' ' PHE . 59.8 mt -101.46 95.05 3.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.142 0.496 . . . . 1.3 110.01 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 55.1 tp -87.94 135.06 33.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.513 -0.767 . . . . 1.77 110.269 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.8 mt -126.95 106.26 15.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.378 -0.373 . . . . 1.59 110.02 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.3 p -72.71 121.85 20.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.054 -0.521 . . . . 1.72 110.807 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 63.9 t -140.54 138.83 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.875 0.369 . . . . 1.96 111.241 -175.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -131.78 92.99 0.29 Allowed Glycine 0 N--CA 1.439 -1.165 0 C-N-CA 119.412 -1.375 . . . . 1.24 111.289 167.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 24.1 t70 164.95 150.57 0.02 OUTLIER 'General case' 0 C--O 1.232 0.178 0 C-N-CA 123.831 0.852 . . . . 1.98 109.154 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -63.77 -45.77 88.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.047 0.451 . . . . 2.21 112.022 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.67 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 44.8 mt-10 -83.51 -29.85 27.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.165 -0.47 . . . . 2.04 111.013 -174.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 36.1 mt-10 -65.09 -29.15 70.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.614 -0.434 . . . . 2.16 109.988 174.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.448 ' O ' HG13 ' A' ' 62' ' ' ILE . 54.5 tp -58.07 -45.11 87.66 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.185 -0.672 . . . . 1.39 109.185 172.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -62.14 -25.59 67.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 2.76 111.323 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.67 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 30.9 mmtp -83.16 -38.51 22.26 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.542 -0.754 . . . . 2.81 110.442 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.26 -36.39 79.35 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.39 -0.596 . . . . 1.17 109.39 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 58' ' ' LEU . 85.8 mt -61.68 -49.79 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.379 -0.828 . . . . 1.48 110.493 174.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.59 -34.7 77.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 3.28 110.516 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.529 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.6 tttp -66.62 -48.9 68.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 2.74 110.305 177.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.03 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.149 0.499 . . . . 1.12 110.584 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.21 -36.42 75.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.341 -0.845 . . . . 1.36 110.446 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.499 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 18.2 t70 -70.16 -48.22 58.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.947 -0.569 . . . . 1.68 110.705 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 64' ' ' LYS . 70.2 mt -56.62 -44.86 81.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.771 -0.65 . . . . 1.27 110.967 -178.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.5 -56.64 8.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.696 -0.684 . . . . 1.18 111.879 -177.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.661 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 89.2 mttt -59.24 -31.22 68.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.798 1.036 . . . . 2.02 113.798 -170.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.499 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 52.2 mtmt -58.22 -35.8 72.22 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.249 -0.581 . . . . 3.27 110.078 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -126.51 -54.52 1.45 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.946 1.462 . . . . 2.22 114.946 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.501 ' OD1' ' HA ' ' A' ' 21' ' ' MET . 3.3 t-20 -116.58 13.61 15.33 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.947 1.462 . . . . 2.6 114.947 -159.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.661 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 6.0 p -65.41 13.55 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.643 1.349 . . . . 3.69 114.643 -172.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.1 p -58.46 -41.35 84.97 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.866 -0.79 . . . . 2.97 108.866 171.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.562 ' HB3' ' SD ' ' A' ' 21' ' ' MET . 34.0 tt0 -152.14 116.65 5.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.918 -1.037 . . . . 2.76 109.47 170.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' HB3' ' A' ' 101' ' ' ALA . . . -117.1 120.5 38.51 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.972 -0.558 . . . . 1.35 109.902 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 48.8 mttp -102.57 119.72 39.31 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.557 -0.534 . . . . 2.24 109.557 176.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 103' ' ' VAL . 58.2 mt -115.55 131.43 67.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.895 -0.593 . . . . 1.23 109.686 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 38.4 tp -108.1 120.85 43.51 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.595 -0.521 . . . . 1.98 109.595 176.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.1 mt -104.94 99.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.233 0.54 . . . . 1.2 109.877 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.751 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.9 tm? -91.82 133.04 36.0 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.681 -0.859 . . . . 2.19 108.681 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.492 ' N ' HD12 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -162.02 170.62 18.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.061 0.457 . . . . 1.82 111.603 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -112.43 103.35 11.45 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.038 -1.097 . . . . 2.04 108.038 168.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -173.63 141.05 0.86 Allowed Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.549 -0.751 . . . . 2.58 109.231 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.3 117.39 4.53 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.394 1.396 . . . . 1.08 110.383 170.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.75 128.53 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.442 0.639 . . . . 1.8 112.043 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -100.94 154.23 37.27 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.337 -0.847 . . . . 1.62 109.982 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.562 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 89.2 Cg_exo -42.61 -42.27 8.36 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.219 2.613 . . . . 1.38 113.479 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.8 -41.24 32.0 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.18 0.592 . . . . 2.43 111.656 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -73.05 -37.67 66.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 4.04 110.798 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -63.99 -45.62 88.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.033 -0.531 . . . . 1.46 110.055 177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 13.3 mmmm -66.15 -34.72 78.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.481 -0.782 . . . . 3.58 109.507 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.22 -50.3 74.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.869 -0.605 . . . . 2.86 110.431 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -70.77 -34.29 71.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.903 -0.59 . . . . 1.77 110.36 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.46 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.631 -0.713 . . . . 2.77 110.055 177.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 94.5 mttt -73.6 -30.28 62.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.512 -0.313 . . . . 3.34 111.776 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -72.88 -50.36 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.693 0.283 . . . . 3.82 111.296 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.435 ' HB1' ' CG2' ' A' ' 62' ' ' ILE . . . -95.37 146.12 24.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.698 -0.482 . . . . 1.19 109.698 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -88.88 99.81 12.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.422 -0.955 . . . . 1.77 108.422 177.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 77' ' ' ALA . . . -175.32 -172.66 0.59 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.306 -1.315 . . . . 1.2 108.878 -173.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.49 88.62 2.96 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.993 -0.743 . . . . 1.77 108.993 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.9 p -84.41 144.9 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.441 -0.8 . . . . 1.66 110.544 -175.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -121.76 108.49 13.56 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.001 -1.0 . . . . 3.21 108.764 175.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.8 m -84.96 130.61 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 C-N-CA 119.862 -0.735 . . . . 1.33 109.241 -178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 106' ' ' ARG . 17.8 mmm180 -128.67 120.23 26.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.137 0.494 . . . . 3.2 111.196 -176.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 15.1 t -97.43 138.81 34.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.625 -0.716 . . . . 1.25 109.879 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.41 162.79 36.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.779 0.323 . . . . 1.93 111.192 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.8 p -124.74 -2.17 7.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 1.68 111.273 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.7 m -152.52 149.37 22.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 1.09 110.813 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.543 ' HA ' HD13 ' A' ' 34' ' ' LEU . 80.7 Cg_exo -47.02 -47.79 15.94 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.158 2.572 . . . . 0.7 113.336 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.74 -40.54 69.41 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.496 -0.775 . . . . 2.04 112.465 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.8 -49.39 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.998 0.428 . . . . 2.21 111.002 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.25 84.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.688 -0.687 . . . . 1.27 111.827 -174.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -66.05 -28.39 68.81 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.711 -0.396 . . . . 1.97 110.541 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.4 -49.68 66.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.457 -0.338 . . . . 4.92 110.422 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -62.33 -43.74 98.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 1.18 110.493 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.15 -38.66 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 1.21 110.651 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.23 -48.67 74.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 3.07 110.476 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -64.19 -38.13 89.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 2.48 110.723 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.79 -25.39 68.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 2.33 110.796 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.484 ' OG ' HD13 ' A' ' 47' ' ' LEU . 16.6 m -95.49 -6.29 40.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.849 -0.614 . . . . 1.88 110.646 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -130.76 67.39 1.5 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.418 0.628 . . . . 2.53 110.033 -176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.298 -0.858 . . . . 2.76 110.584 179.75 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.337 -0.246 . . . . 2.65 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.427 ' OG1' ' HB2' ' A' ' 73' ' ' ASN . 11.8 m -81.96 133.17 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.498 -0.481 . . . . 1.23 109.878 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.97 124.95 53.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.919 0.39 . . . . 1.11 110.829 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.447 ' CZ ' ' HB ' ' A' ' 68' ' ' ILE . 81.3 m-85 -119.24 164.08 16.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.121 -0.49 . . . . 2.21 110.566 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.7 p -149.77 114.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.519 0.676 . . . . 1.71 110.802 174.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.527 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.7 mm? -92.88 157.28 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.327 -0.99 . . . . 1.75 108.327 173.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.609 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.1 tt -149.97 115.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.155 -0.618 . . . . 1.27 112.381 -174.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mp -106.48 77.58 1.21 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 108.751 -0.833 . . . . 1.88 108.751 165.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -149.73 87.08 1.47 Allowed 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 107.223 -1.399 . . . . 1.57 107.223 168.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -93.41 91.28 7.09 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.922 -1.111 . . . . 3.28 111.554 -170.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.442 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 23.4 t70 -117.72 142.38 47.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.027 -0.988 . . . . 1.57 109.261 165.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -57.89 -53.96 52.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 118.388 0.54 . . . . 3.5 111.269 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -69.14 -43.68 73.86 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.08 -0.509 . . . . 3.83 110.849 -175.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -57.36 -53.86 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.784 -0.644 . . . . 2.15 110.594 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.9 mt -51.52 -32.86 14.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.025 0.441 . . . . 1.31 111.213 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.6 mt-10 -77.06 -47.16 21.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.287 -0.415 . . . . 2.15 110.996 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.63 -37.55 86.76 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.059 0.457 . . . . 2.05 110.552 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.5 74.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 1.19 110.755 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 49.0 ttp180 -66.31 -46.32 77.31 Favored 'General case' 0 C--O 1.21 -1.009 0 C-N-CA 120.758 -0.377 . . . . 3.54 111.571 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 94.7 mttt -61.37 -30.18 70.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.883 0.373 . . . . 2.36 111.018 -176.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.7 tpt -76.08 -51.19 12.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.127 -0.488 . . . . 2.32 110.769 175.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.61 -28.67 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.348 -0.387 . . . . 1.25 111.805 -176.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 7.5 tp10 -62.49 -47.29 84.62 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.08 -0.711 . . . . 2.41 109.08 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -68.32 -25.1 64.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.019 -0.992 . . . . 4.01 111.3 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.08 1.76 34.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.087 -0.506 . . . . 1.25 110.926 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 62.86 29.89 16.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.486 -0.779 . . . . 2.78 110.907 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 72.4 mt -93.87 128.92 40.4 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.098 -0.705 . . . . 1.32 109.098 176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.92 98.85 2.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.159 0.504 . . . . 1.3 109.871 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 34.3 tp -84.53 131.69 34.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.467 -0.788 . . . . 1.77 110.463 -178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.527 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 65.3 mt -125.92 106.09 15.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.477 -0.564 . . . . 1.59 109.477 175.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 p -68.88 131.54 45.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.147 -0.479 . . . . 1.72 110.851 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.46 133.04 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.902 -0.59 . . . . 1.96 109.921 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.468 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -128.93 93.61 0.34 Allowed Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 119.252 -1.452 . . . . 1.24 112.507 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 57' ' ' GLU . 24.2 t70 161.41 141.02 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.815 1.246 . . . . 1.98 107.65 174.168 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -70.64 -31.9 69.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.393 . . . . 2.21 110.856 -173.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.96 -39.63 49.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.142 -0.481 . . . . 2.04 109.822 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.475 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 14.1 mm-40 -73.48 -20.95 60.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.827 -0.624 . . . . 2.16 110.994 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.559 ' O ' HG13 ' A' ' 62' ' ' ILE . 56.3 tp -61.15 -42.38 98.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.468 -0.567 . . . . 1.39 109.468 172.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -63.31 -27.29 69.22 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.543 0.687 . . . . 2.76 110.802 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -76.85 -43.02 37.79 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.656 -1.156 . . . . 2.81 110.506 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.68 87.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 1.17 110.954 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 58' ' ' LEU . 61.5 mt -60.43 -43.15 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.09 0.471 . . . . 1.48 110.317 176.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.44 -39.35 94.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.787 -0.642 . . . . 3.28 110.542 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -61.05 -39.27 89.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.639 -0.71 . . . . 2.74 110.168 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.46 78.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.666 -0.697 . . . . 1.12 110.732 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -53.59 -43.03 68.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.162 0.506 . . . . 1.36 110.741 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.41 -39.68 88.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.229 -0.896 . . . . 1.68 111.431 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.447 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 63.9 mt -76.23 -44.3 36.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.348 . . . . 1.27 110.363 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.79 -53.88 46.15 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.818 -0.628 . . . . 1.18 111.493 -178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.612 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 46.9 mttp -68.92 -29.61 67.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.223 -0.899 . . . . 2.02 112.09 -174.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -55.82 -35.4 66.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.13 -0.486 . . . . 3.27 110.774 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -123.3 -52.74 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.761 1.023 . . . . 2.22 113.761 -173.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.427 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 12.9 m120 -111.74 19.73 17.74 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.346 0.499 . . . . 2.6 112.346 -168.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.612 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 84.5 p -42.48 -19.24 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.127 1.529 . . . . 3.69 115.127 -172.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 m -48.87 -39.55 26.24 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.844 0.354 . . . . 2.97 110.831 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -151.09 120.02 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.757 -0.46 . . . . 2.76 109.757 174.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.9 114.75 28.78 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.891 -0.411 . . . . 1.35 109.891 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' HZ2' ' CD ' ' A' ' 124' ' ' GLU . 39.7 mtpt -119.51 127.1 52.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.075 0.464 . . . . 2.24 109.996 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 63.3 mt -128.67 145.4 35.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.85 -0.614 . . . . 1.23 110.473 -173.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.9 tt -110.1 133.58 53.06 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.34 -0.985 . . . . 1.98 108.34 173.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.484 ' N ' HD22 ' A' ' 80' ' ' LEU . 82.6 mt -116.17 103.38 15.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.429 -0.582 . . . . 1.2 109.429 172.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.609 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 20.1 tp -101.71 107.46 18.69 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.63 -0.714 . . . . 2.19 110.023 -174.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -134.97 164.42 27.64 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.99 0.424 . . . . 1.82 111.962 -174.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 44.0 tt0 -103.2 103.14 13.16 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.19 -1.041 . . . . 2.04 108.19 169.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 57.9 mttm -170.12 162.71 6.47 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.586 -0.734 . . . . 2.58 109.762 -174.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -84.83 118.68 2.11 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.592 2.195 . . . . 1.08 110.638 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -117.75 122.49 69.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.775 -0.648 . . . . 1.8 111.266 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.1 m -100.52 156.72 34.89 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 115.919 -0.582 . . . . 1.62 109.678 173.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -44.98 -38.91 13.99 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.877 2.385 . . . . 1.38 113.239 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.61 -25.25 65.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 2.43 111.926 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.446 ' O ' ' HB3' ' A' ' 94' ' ' LYS . 42.0 t80 -76.37 -36.56 58.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.928 -0.397 . . . . 4.04 109.928 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.99 -47.98 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 1.46 110.183 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -70.15 -23.65 63.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 3.58 110.032 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 91' ' ' TYR . 5.1 tppp? -64.9 -51.93 59.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.249 -0.432 . . . . 2.86 109.892 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.5 -32.64 66.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.041 -0.527 . . . . 1.77 110.732 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.6 tm0? -69.23 -22.56 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 2.77 109.6 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -80.28 -28.11 38.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 3.34 111.485 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -71.87 -30.73 65.72 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.013 0.375 . . . . 3.82 112.013 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.59 142.45 51.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.714 -0.221 . . . . 1.19 110.471 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -79.16 99.75 7.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.636 0.731 . . . . 1.77 109.167 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.46 -175.06 0.63 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.425 -1.261 . . . . 1.2 108.977 -177.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 8.4 pt-20 -120.11 98.46 6.09 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.765 0.793 . . . . 1.77 108.941 168.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.5 p -95.54 141.34 15.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.512 -0.767 . . . . 1.66 110.861 -173.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -109.5 98.7 8.04 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.546 -0.909 . . . . 3.21 108.546 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.6 m -85.34 123.57 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.626 -0.429 . . . . 1.33 110.01 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -124.5 144.7 49.96 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.192 -0.318 . . . . 3.2 110.313 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.504 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 14.7 t -110.25 142.41 41.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.728 0.299 . . . . 1.25 110.533 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.3 m -135.5 151.7 30.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.87 0.367 . . . . 1.93 111.237 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.8 p -123.73 -14.74 7.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 1.68 111.194 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.6 m -137.26 143.12 40.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.935 -0.575 . . . . 1.09 110.055 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -52.94 -30.78 49.79 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.966 3.111 . . . . 0.7 114.562 -176.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -75.67 -27.74 58.44 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.819 -0.352 . . . . 2.04 111.444 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.45 -33.78 75.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.746 -0.464 . . . . 2.21 109.746 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -57.09 -52.08 66.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.495 -0.775 . . . . 1.27 110.596 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -62.81 -30.49 71.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 1.97 110.994 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -67.0 -44.09 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 4.92 110.514 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -70.48 -33.52 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 1.18 110.77 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 114' ' ' ALA . 91.0 mt -60.35 -47.27 93.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 1.21 110.649 177.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.19 -36.17 79.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 3.07 110.747 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -64.82 -52.74 55.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 2.48 110.307 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.48 -39.67 85.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 2.33 111.78 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.4 p -75.09 -18.12 60.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.739 0.304 . . . . 1.88 111.482 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -75.41 -59.17 2.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.445 -0.343 . . . . 2.53 110.717 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.434 ' CD ' ' HZ2' ' A' ' 78' ' ' LYS . 24.1 mm-40 . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.989 -0.529 . . . . 2.76 110.985 -178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.724 0.297 . . . . 2.65 110.481 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.407 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 25.0 m -130.45 144.09 51.18 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.37 -0.604 . . . . 1.23 109.37 176.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.5 mt -105.12 107.51 18.54 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.391 0.615 . . . . 1.11 110.347 179.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.419 ' CE2' HD12 ' A' ' 48' ' ' ILE . 65.5 m-85 -98.31 145.04 27.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.467 -0.788 . . . . 2.21 109.609 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.9 p -138.06 123.34 24.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.497 0.665 . . . . 1.71 110.822 176.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -110.1 160.63 16.3 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.855 -1.165 . . . . 1.75 107.855 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tt -150.19 112.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 C-N-CA 120.537 -0.465 . . . . 1.27 111.182 -178.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 52' ' ' VAL . 1.5 tp -96.79 77.97 2.86 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.29 -1.004 . . . . 1.88 108.29 172.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -150.44 89.94 1.61 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.725 -1.125 . . . . 1.57 109.694 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.09 87.2 5.47 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.721 -1.191 . . . . 3.28 110.57 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 30.6 t70 -119.42 163.6 16.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.295 -1.32 . . . . 1.57 108.23 169.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -88.69 -32.62 17.9 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.865 -0.734 . . . . 3.5 110.901 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -90.42 -42.58 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.695 0.283 . . . . 3.83 110.829 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' HG ' ' HA ' ' A' ' 111' ' ' PRO . 1.5 tt -56.87 -47.92 79.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.873 -0.603 . . . . 2.15 110.077 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -59.35 -44.73 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.544 . . . . 1.31 111.079 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 6.8 mm-40 -61.89 -54.09 46.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.596 -0.274 . . . . 2.15 111.649 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -63.49 -33.15 74.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.64 0.257 . . . . 2.05 111.437 -177.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -45.61 70.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.72 0.295 . . . . 1.19 110.761 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -67.18 -39.25 86.4 Favored 'General case' 0 C--O 1.214 -0.767 0 C-N-CA 120.665 -0.414 . . . . 3.54 111.073 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.4 mttm -55.68 -36.17 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.859 0.361 . . . . 2.36 110.998 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -53.11 8.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.299 -0.41 . . . . 2.32 111.35 176.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.18 79.41 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.381 0.511 . . . . 1.25 112.381 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.33 -43.53 90.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.22 0.533 . . . . 2.41 109.692 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -72.06 -27.97 63.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.725 -0.67 . . . . 4.01 110.355 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.7 -0.69 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.64 -0.709 . . . . 1.25 110.859 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 m120 62.53 35.6 14.46 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.487 -0.779 . . . . 2.78 111.017 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.9 mt -92.7 154.11 18.53 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.456 -0.572 . . . . 1.32 109.456 177.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.419 HD12 ' CE2' ' A' ' 24' ' ' PHE . 42.7 mt -90.75 94.93 5.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.531 -0.544 . . . . 1.3 109.531 175.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 51.8 tp -87.37 118.37 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.353 -0.84 . . . . 1.77 110.832 -178.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.5 mt -110.12 100.0 9.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.188 -0.671 . . . . 1.59 109.188 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.6 m -82.71 117.37 22.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.875 -0.602 . . . . 1.72 110.913 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.462 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 3.1 m -136.08 141.42 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.732 -0.667 . . . . 1.96 110.092 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.545 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -126.83 94.2 0.41 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 119.626 -1.273 . . . . 1.24 111.947 175.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.545 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 22.4 t70 156.24 150.96 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.694 1.197 . . . . 1.98 108.436 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.75 -36.16 82.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.751 0.31 . . . . 2.21 110.996 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -80.07 -29.08 39.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.858 0.361 . . . . 2.04 110.338 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 27.7 mm-40 -64.92 -35.67 81.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.928 -0.578 . . . . 2.16 110.136 174.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.66 -35.8 81.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.288 -0.415 . . . . 1.39 110.187 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -57.41 -28.13 62.99 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.143 0.497 . . . . 2.76 111.377 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -90.2 -40.56 12.12 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.626 -0.715 . . . . 2.81 110.914 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.38 86.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.106 0.479 . . . . 1.17 110.313 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.7 mt -59.57 -47.84 89.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.48 -0.782 . . . . 1.48 110.931 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -68.11 -33.9 75.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.134 -0.484 . . . . 3.28 111.309 -175.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.1 ttpp -72.9 -38.53 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 2.74 110.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.6 91.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.087 0.47 . . . . 1.12 110.424 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.54 -44.3 80.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.345 -0.843 . . . . 1.36 111.042 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.01 -43.76 82.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.554 -0.748 . . . . 1.68 111.692 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 64' ' ' LYS . 61.3 mt -63.49 -40.21 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.009 0.433 . . . . 1.27 110.975 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.36 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.677 -0.692 . . . . 1.18 112.015 -174.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -72.63 -9.8 59.03 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.44 0.533 . . . . 2.02 112.44 -172.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -44.77 -47.33 10.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.668 0.605 . . . . 3.27 110.925 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.47 ' HG3' ' H ' ' A' ' 73' ' ' ASN . 4.1 pt20 -126.71 -63.41 1.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.074 1.139 . . . . 2.22 114.074 -173.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.47 ' H ' ' HG3' ' A' ' 72' ' ' GLN . 27.7 t-20 -120.28 -40.17 2.72 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.868 0.842 . . . . 2.6 112.301 -174.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -77.98 24.14 0.24 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.168 -1.378 . . . . 3.69 113.924 -162.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 p -46.4 -29.95 1.92 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.726 0.298 . . . . 2.97 111.193 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -113.2 99.51 7.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.139 -1.06 . . . . 2.76 108.139 165.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -118.09 170.06 9.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.083 -0.508 . . . . 1.35 110.862 -176.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -120.69 125.24 47.17 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.057 -0.72 . . . . 2.24 109.057 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 49.1 mt -120.59 146.67 25.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.086 -0.507 . . . . 1.23 110.008 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.4 tt -120.0 129.52 54.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.624 -0.88 . . . . 1.98 108.624 175.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.41 ' N ' HD22 ' A' ' 80' ' ' LEU . 96.8 mt -117.78 113.27 41.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.831 0.348 . . . . 1.2 110.091 174.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.411 HD22 ' HB2' ' A' ' 106' ' ' ARG . 69.0 mt -92.51 101.41 13.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.875 -0.602 . . . . 2.19 109.56 176.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.5 pt? -123.44 139.2 54.26 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.912 -0.315 . . . . 1.82 111.021 -175.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -94.86 98.59 10.84 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 119.643 -0.823 . . . . 2.04 109.285 173.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -176.53 168.79 1.31 Allowed Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 114.765 -1.107 . . . . 2.58 108.028 170.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -76.45 122.67 6.63 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.062 1.841 . . . . 1.08 110.917 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.1 t -105.03 120.13 55.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.605 -0.725 . . . . 1.8 110.817 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.4 m -91.5 158.7 40.27 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.15 -0.477 . . . . 1.62 110.055 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -49.7 -49.59 15.45 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.732 2.288 . . . . 1.38 112.459 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.684 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 4.8 mp0 -58.33 -38.81 77.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.954 -0.567 . . . . 2.43 111.395 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.45 -40.53 87.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.389 . . . . 4.04 110.166 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.82 -55.74 31.18 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.754 -0.657 . . . . 1.46 110.969 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 19.9 ptmt -70.26 -17.76 63.12 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.744 -0.662 . . . . 3.58 111.643 -174.026 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.684 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 34.4 mmtp -66.46 -48.61 69.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.157 0.503 . . . . 2.86 109.72 172.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.4 mt -72.38 -36.53 68.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 1.77 110.118 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 28.9 tt0 -69.98 -27.98 65.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.319 -0.855 . . . . 2.77 110.736 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -82.14 -30.75 30.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 3.34 111.027 174.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.56 -50.02 75.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.094 -0.503 . . . . 3.82 110.27 -177.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.52 121.95 46.04 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.933 -0.765 . . . . 1.19 108.933 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.83 101.15 3.66 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.525 -0.87 . . . . 1.77 109.291 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.82 -168.16 0.34 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.047 -1.433 . . . . 1.2 108.423 -176.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -114.69 89.93 3.22 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.69 -0.485 . . . . 1.77 109.69 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 9.0 p -87.86 131.92 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.335 0.588 . . . . 1.66 110.301 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -104.62 99.29 8.96 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.715 -0.846 . . . . 3.21 108.715 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.8 m -77.56 130.05 36.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.166 0.507 . . . . 1.33 110.058 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.411 ' HB2' HD22 ' A' ' 82' ' ' LEU . 35.6 mmt180 -127.18 126.66 43.21 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.256 -0.429 . . . . 3.2 110.809 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 10.1 t -86.62 127.07 34.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 1.25 109.918 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.1 m -127.84 156.94 40.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.235 -0.438 . . . . 1.93 110.567 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 -20.49 1.87 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.281 -0.418 . . . . 1.68 110.866 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.5 m -143.71 147.91 40.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.605 -0.27 . . . . 1.09 111.481 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.419 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 74.3 Cg_exo -46.41 -44.49 20.54 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.552 2.834 . . . . 0.7 114.272 -173.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.545 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -59.08 -31.68 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.425 0.528 . . . . 2.04 112.425 -174.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.39 -45.95 74.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.046 0.451 . . . . 2.21 109.943 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' HB3' HD11 ' A' ' 82' ' ' LEU . . . -58.76 -43.91 90.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.418 -0.81 . . . . 1.27 111.301 -178.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.545 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 55.5 mtmt -59.31 -35.01 73.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 1.97 111.18 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.532 ' HG3' ' O ' ' A' ' 112' ' ' ASP . 96.3 mtt180 -67.32 -47.03 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 4.92 110.853 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -63.71 -42.92 97.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 1.18 110.826 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.35 -42.79 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.446 . . . . 1.21 110.471 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.8 -47.2 86.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.728 -0.669 . . . . 3.07 110.914 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.28 -35.38 73.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.731 0.301 . . . . 2.48 111.338 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -68.42 -26.19 65.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 2.33 111.324 -176.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.7 t -78.03 -2.99 39.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.836 0.35 . . . . 1.88 110.473 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -103.89 23.1 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 2.53 110.998 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.686 -0.673 . . . . 2.76 110.076 177.278 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.829 0.347 . . . . 2.65 110.643 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 m -91.2 147.64 22.92 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.954 -0.758 . . . . 1.23 108.954 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 121' ' ' PHE . 60.2 mt -109.43 118.6 37.06 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.351 0.596 . . . . 1.11 111.569 -173.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 79' ' ' ILE . 49.7 m-85 -112.57 145.83 39.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.346 -0.843 . . . . 2.21 109.607 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 p -145.16 130.52 13.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-O 121.635 0.731 . . . . 1.71 111.192 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.87 159.78 15.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.644 -1.162 . . . . 1.75 109.508 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.9 tt -141.92 119.84 8.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.011 0.434 . . . . 1.27 110.815 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -118.63 77.47 1.18 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.328 -0.99 . . . . 1.88 108.328 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -149.12 88.94 1.62 Allowed 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.254 -1.387 . . . . 1.57 107.254 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -85.48 89.24 7.64 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 118.172 -1.411 . . . . 3.28 111.045 -169.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.603 ' OD2' ' HG2' ' A' ' 33' ' ' LYS . 6.0 t70 -117.42 138.79 51.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.667 -1.151 . . . . 1.57 108.152 162.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -54.76 -47.49 73.81 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.528 0.566 . . . . 3.5 112.528 -172.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.603 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 63.2 pttt -78.43 -31.15 47.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.922 0.391 . . . . 3.83 110.679 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 111' ' ' PRO . 12.2 tp -66.32 -42.44 88.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.344 -0.389 . . . . 2.15 110.623 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.0 mt -60.53 -40.49 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 1.31 111.579 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.655 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.6 pt-20 -77.2 -44.7 29.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.44 -0.504 . . . . 2.15 111.194 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.615 ' HA ' ' CG ' ' A' ' 40' ' ' LYS . 37.3 mm-40 -65.82 -30.34 70.95 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.945 0.35 . . . . 2.05 111.945 -176.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.63 96.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.945 0.402 . . . . 1.19 110.005 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -74.33 -34.56 63.47 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.271 -0.422 . . . . 3.54 110.685 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.655 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 33.0 mmtp -52.68 -42.76 65.05 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.533 0.682 . . . . 2.36 109.383 176.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 tpt -72.26 -52.5 16.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.802 -1.09 . . . . 2.32 111.492 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.28 -37.11 53.59 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.624 0.602 . . . . 1.25 112.624 -172.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.24 -46.6 86.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.272 0.558 . . . . 2.41 109.562 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -65.82 -28.87 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.5 -0.773 . . . . 4.01 110.249 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.18 -0.28 39.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 1.25 111.122 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 67.36 34.3 4.87 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.723 -0.672 . . . . 2.78 111.258 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -102.16 166.06 10.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.985 -0.746 . . . . 1.32 108.985 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -98.62 96.72 5.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.171 0.51 . . . . 1.3 109.752 174.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.407 ' CD1' HG21 ' A' ' 51' ' ' THR . 3.3 tm? -87.03 123.09 31.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.4 -0.818 . . . . 1.77 109.501 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.8 mt -113.71 114.53 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 1.59 110.57 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 HG21 ' CD1' ' A' ' 49' ' ' LEU . 7.6 p -93.99 125.83 38.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.193 -0.458 . . . . 1.72 111.091 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.6 m -134.52 146.82 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.42 -0.355 . . . . 1.96 110.508 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -122.57 94.48 0.52 Allowed Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.959 -1.115 . . . . 1.24 111.619 173.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.512 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 15.7 t70 140.78 141.82 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.207 1.803 . . . . 1.98 107.505 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -72.39 -22.14 61.17 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.877 0.37 . . . . 2.21 111.149 -173.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 10.5 mm-40 -83.74 -27.81 28.65 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.713 -0.477 . . . . 2.04 109.713 177.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -31.49 70.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 2.16 109.885 170.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.545 ' O ' HG13 ' A' ' 62' ' ' ILE . 23.9 tp -61.07 -40.37 93.42 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.937 -0.574 . . . . 1.39 109.591 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 43.1 mmtm -56.96 -33.16 66.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.466 0.651 . . . . 2.76 110.714 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -79.69 -39.15 31.93 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.931 -1.032 . . . . 2.81 110.624 -176.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.02 81.25 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.997 -0.547 . . . . 1.17 110.106 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 58' ' ' LEU . 98.8 mt -60.36 -52.68 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 1.48 110.624 176.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.43 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 62.4 tttm -69.76 -32.19 70.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.495 -0.32 . . . . 3.28 110.633 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 68' ' ' ILE . 38.9 ttpt -64.62 -41.26 96.31 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.164 -0.31 . . . . 2.74 110.164 177.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.29 98.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.918 0.39 . . . . 1.12 109.975 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.47 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 9.0 t70 -54.81 -52.94 61.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.362 -0.836 . . . . 1.36 110.474 174.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.77 -47.63 84.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.578 -0.737 . . . . 1.68 112.105 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 64' ' ' LYS . 75.3 mt -66.97 -36.05 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.82 0.343 . . . . 1.27 111.128 -177.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.04 -63.62 1.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 1.18 111.767 -176.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 14.3 ptpt -69.75 -10.81 59.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.651 0.611 . . . . 2.02 112.651 -173.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -45.71 -46.18 14.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.931 0.77 . . . . 3.27 110.406 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 24.3 pt20 -128.82 -59.14 1.14 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.874 1.065 . . . . 2.22 113.874 -177.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.411 ' N ' ' HG3' ' A' ' 72' ' ' GLN . 25.4 p-10 -118.19 -36.83 3.48 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.528 0.936 . . . . 2.6 113.528 -171.166 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.522 ' HG ' ' HB2' ' A' ' 77' ' ' ALA . 8.7 t -89.18 24.54 2.12 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 113.554 0.946 . . . . 3.69 113.554 -159.368 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.7 t -44.75 -34.36 2.24 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.874 0.324 . . . . 2.97 111.874 -176.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -111.61 99.46 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.03 -0.729 . . . . 2.76 109.03 168.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.522 ' HB2' ' HG ' ' A' ' 74' ' ' SER . . . -109.21 164.05 12.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.755 -0.657 . . . . 1.35 111.846 -173.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -106.07 122.94 47.2 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.206 -1.035 . . . . 2.24 108.206 169.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.607 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 41.8 mt -127.62 134.16 66.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 110.127 -0.323 . . . . 1.23 110.127 -177.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.442 HD12 ' CG ' ' A' ' 121' ' ' PHE . 7.4 mp -109.91 139.79 44.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.799 0.333 . . . . 1.98 110.287 171.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.409 HG21 HD21 ' A' ' 83' ' ' LEU . 82.5 mt -116.82 106.22 19.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 108.677 -0.86 . . . . 1.2 108.677 172.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -91.0 98.71 11.94 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.604 -0.517 . . . . 2.19 109.604 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.563 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.5 pt? -128.13 147.22 50.54 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.177 -0.465 . . . . 1.82 110.756 -174.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -97.86 98.53 9.9 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 119.604 -0.838 . . . . 2.04 109.829 174.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -174.62 163.94 2.52 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 114.63 -1.168 . . . . 2.58 108.851 170.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.84 119.42 6.45 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.215 1.943 . . . . 1.08 111.23 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.07 120.37 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 1.8 111.47 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -88.5 153.07 50.39 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.529 -0.76 . . . . 1.62 109.911 176.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.44 -30.12 62.3 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.317 2.011 . . . . 1.38 111.355 171.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -68.06 -40.31 82.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.578 -0.737 . . . . 2.43 109.654 175.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -67.63 -39.51 84.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.173 -0.921 . . . . 4.04 109.868 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.2 -38.04 75.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.843 -0.617 . . . . 1.46 110.728 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -59.59 -29.4 67.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.374 -0.376 . . . . 3.58 111.293 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -64.18 -46.04 85.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.066 0.46 . . . . 2.86 110.214 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.5 -33.36 36.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.947 -0.57 . . . . 1.77 110.589 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -68.85 -30.8 69.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.569 . . . . 2.77 110.272 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -81.7 -26.18 34.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.09 -0.504 . . . . 3.34 110.822 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -68.31 -50.7 51.66 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.34 0.59 . . . . 3.82 110.273 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.14 119.31 39.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.405 -0.961 . . . . 1.19 108.405 173.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -76.14 103.03 5.98 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 122.024 0.916 . . . . 1.77 110.077 -173.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -173.77 -168.31 0.42 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 113.481 -1.691 . . . . 1.2 106.954 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -109.38 89.11 2.9 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 109.183 -0.673 . . . . 1.77 109.183 172.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.607 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.8 p -87.4 137.33 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.411 0.624 . . . . 1.66 109.713 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -120.75 99.38 6.5 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.171 -0.922 . . . . 3.21 108.623 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.52 128.17 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 109.61 -0.515 . . . . 1.33 109.61 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.433 ' NE ' ' HA ' ' A' ' 106' ' ' ARG . 4.4 mmp_? -117.12 117.23 29.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.417 -0.356 . . . . 3.2 110.177 -176.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 3.9 t -85.36 99.54 11.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.739 0.78 . . . . 1.25 110.191 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.57 151.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.483 -0.781 . . . . 1.93 111.082 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -133.59 3.55 3.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.374 0.607 . . . . 1.68 110.309 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.0 m -155.36 148.71 18.48 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.753 -0.658 . . . . 1.09 109.462 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.524 ' HA ' HD12 ' A' ' 34' ' ' LEU . 23.0 Cg_exo -64.97 -25.3 59.53 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.018 2.478 . . . . 0.7 113.323 -175.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -78.28 -31.49 49.01 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.99 -0.284 . . . . 2.04 111.243 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.69 -42.94 98.15 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.773 -0.455 . . . . 2.21 109.773 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.58 -51.67 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.426 -0.806 . . . . 1.27 111.134 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.16 -36.61 82.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.986 -0.552 . . . . 1.97 110.809 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -68.33 -41.52 80.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 4.92 111.194 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -67.65 -40.85 84.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.677 0.275 . . . . 1.18 110.762 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.36 -39.8 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 1.21 109.961 174.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -58.95 -46.84 87.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.783 -0.644 . . . . 3.07 111.23 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -70.1 -27.5 64.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.238 0.542 . . . . 2.48 110.426 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 23' ' ' LEU . 11.2 t80 -75.86 -44.95 38.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.672 -0.695 . . . . 2.33 111.621 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.6 m -66.32 -26.53 67.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.25 -0.432 . . . . 1.88 111.787 -174.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -104.47 24.34 11.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.477 -0.329 . . . . 2.53 111.101 -176.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.68 -0.676 . . . . 2.76 110.278 -178.742 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.698 0.285 . . . . 2.65 110.292 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -113.27 134.33 54.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.596 -0.274 . . . . 1.23 110.292 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.406 ' HB2' HD23 ' A' ' 47' ' ' LEU . 86.4 mt -114.58 119.16 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.062 0.458 . . . . 1.11 110.616 -177.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 47.4 m-85 -104.31 152.27 22.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.075 -0.511 . . . . 2.21 110.163 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.6 p -142.09 122.81 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.661 0.743 . . . . 1.71 110.811 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 mp -111.39 158.93 18.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.159 -0.928 . . . . 1.75 108.762 178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.566 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.9 tt -150.51 112.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 C-N-CA 120.85 -0.34 . . . . 1.27 111.194 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.437 HD12 HD22 ' A' ' 58' ' ' LEU . 26.9 mt -92.99 79.38 4.61 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.416 -0.957 . . . . 1.88 108.416 173.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 m -150.28 138.86 20.64 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.058 -0.973 . . . . 1.57 109.721 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -119.17 86.11 2.49 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.453 -1.299 . . . . 3.28 109.743 165.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.584 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.3 t70 -120.19 141.38 49.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.602 -1.181 . . . . 1.57 109.311 168.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -60.8 -55.44 33.09 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 118.377 0.535 . . . . 3.5 111.673 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 87.8 tttt -70.58 -46.81 62.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.464 . . . . 3.83 111.417 -173.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 18.4 tp -57.15 -41.99 80.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 2.15 111.872 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mt -61.29 -33.35 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.875 0.369 . . . . 1.31 110.931 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 42.2 mt-10 -74.48 -47.79 31.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.364 -0.38 . . . . 2.15 110.067 174.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HG3' ' HB3' ' A' ' 111' ' ' PRO . 32.9 mm-40 -55.95 -41.0 74.03 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.247 -0.433 . . . . 2.05 111.336 -178.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.52 -47.77 84.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.866 -0.606 . . . . 1.19 110.91 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -69.88 -36.76 75.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.41 -0.359 . . . . 3.54 110.936 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.2 mttm -51.9 -40.46 60.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 2.36 110.873 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.2 mmm -83.9 -45.98 12.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 2.32 111.383 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.06 72.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.205 0.446 . . . . 1.25 112.205 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.52 -46.43 86.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.448 -0.945 . . . . 2.41 108.448 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.69 -35.09 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.095 -0.957 . . . . 4.01 110.788 177.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -79.89 -5.0 54.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.881 -0.6 . . . . 1.25 111.229 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 62.61 45.06 6.34 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.282 -0.872 . . . . 2.78 110.365 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.411 ' HG ' ' HB1' ' A' ' 45' ' ' ALA . 19.1 mt -100.98 168.75 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.221 -0.899 . . . . 1.32 109.534 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.446 HD12 ' CE1' ' A' ' 24' ' ' PHE . 50.7 mt -100.82 104.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.872 -0.418 . . . . 1.3 109.872 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 41.1 tp -95.94 124.05 39.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.019 -0.537 . . . . 1.77 111.186 -176.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.49 109.9 27.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.477 -0.564 . . . . 1.59 109.477 173.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 m -89.66 101.1 13.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.06 -0.518 . . . . 1.72 110.948 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.6 m -122.78 141.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.954 -0.566 . . . . 1.96 110.255 179.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.592 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -120.53 96.17 0.6 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 119.874 -1.155 . . . . 1.24 112.219 177.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.592 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 16.4 t70 155.51 151.48 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.734 1.214 . . . . 1.98 108.417 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -71.81 -28.36 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 2.21 110.715 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.605 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 29.3 mm-40 -86.51 -34.41 20.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.897 -0.409 . . . . 2.04 109.897 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 22.1 mm-40 -64.13 -32.01 73.41 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.817 -0.438 . . . . 2.16 109.817 173.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.437 HD22 HD12 ' A' ' 28' ' ' LEU . 53.3 tp -55.58 -45.46 77.35 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.339 -0.615 . . . . 1.39 109.339 172.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.39 -18.13 64.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.528 -0.76 . . . . 2.76 111.85 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.605 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 64.5 mmtt -90.2 -37.03 14.42 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.781 -0.645 . . . . 2.81 110.439 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.81 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.098 -0.705 . . . . 1.17 109.098 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.405 HG23 ' HB2' ' A' ' 99' ' ' ALA . 40.5 mt -59.76 -41.87 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.924 -1.034 . . . . 1.48 110.554 173.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -60.13 -46.1 90.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 3.28 111.123 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.462 ' O ' HG13 ' A' ' 68' ' ' ILE . 18.3 ptpt -73.71 -33.93 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.923 -0.311 . . . . 2.74 110.87 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.77 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 1.12 110.429 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.475 ' HB2' ' CB ' ' A' ' 99' ' ' ALA . 1.4 t70 -59.47 -41.03 88.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.384 -0.826 . . . . 1.36 110.515 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.3 -49.79 65.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 1.68 111.656 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 64' ' ' LYS . 96.1 mt -60.51 -46.0 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 1.27 110.923 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.534 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -63.15 -56.74 14.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 1.18 111.635 -177.316 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.605 ' HA ' ' CB ' ' A' ' 74' ' ' SER . 49.8 mtpt -76.73 -12.78 60.04 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 112.691 0.626 . . . . 2.02 112.691 -170.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -67.57 -37.02 82.03 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.102 -0.703 . . . . 3.27 109.102 173.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -126.57 -54.15 1.45 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.685 1.365 . . . . 2.22 114.685 -173.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -114.67 14.82 17.64 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.746 1.387 . . . . 2.6 114.746 -160.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.605 ' CB ' ' HA ' ' A' ' 70' ' ' LYS . 2.8 p -65.32 14.45 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.496 1.295 . . . . 3.69 114.496 -174.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 p -56.01 -37.86 69.73 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.142 -0.688 . . . . 2.97 109.142 169.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -159.98 101.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.272 -0.876 . . . . 2.76 109.187 168.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.0 146.68 33.5 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.196 -0.457 . . . . 1.35 110.353 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.511 ' HE2' ' OE1' ' A' ' 102' ' ' GLU . 89.1 mttt -135.42 143.26 45.87 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.198 -0.297 . . . . 2.24 110.198 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.456 ' HB ' HG23 ' A' ' 103' ' ' VAL . 62.4 mt -131.09 117.82 38.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.299 -0.41 . . . . 1.23 110.138 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD13 ' O ' ' A' ' 104' ' ' ARG . 33.0 tp -95.3 112.49 24.19 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.87 -0.418 . . . . 1.98 109.87 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.432 ' HB ' HG12 ' A' ' 105' ' ' VAL . 73.2 mt -102.08 117.6 47.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.596 -0.441 . . . . 1.2 109.835 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 82.3 mt -101.43 119.34 38.61 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.681 -0.489 . . . . 2.19 109.681 175.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.64 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -139.98 138.95 35.93 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.421 -0.354 . . . . 1.82 110.178 -177.695 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -87.06 98.04 11.06 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.393 -0.923 . . . . 2.04 109.485 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -176.21 162.01 1.86 Allowed Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 114.658 -1.156 . . . . 2.58 108.021 168.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -63.3 119.29 6.3 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 121.3 1.334 . . . . 1.08 109.811 167.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 m -99.2 141.74 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.268 0.556 . . . . 1.8 111.629 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.9 m -95.03 127.48 42.67 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.424 -0.807 . . . . 1.62 109.694 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -58.33 -30.49 91.25 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.141 2.561 . . . . 1.38 112.834 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.07 -36.06 72.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.047 0.451 . . . . 2.43 110.288 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -67.25 -28.68 68.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.816 -0.629 . . . . 4.04 110.152 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.51 -38.65 91.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 1.46 110.44 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HZ2' ' HB3' ' A' ' 93' ' ' LYS . 2.8 mmmp? -72.48 -33.45 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.24 -0.652 . . . . 3.58 109.24 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.561 ' HE3' ' OH ' ' A' ' 98' ' ' TYR . 59.0 tttp -65.66 -33.67 76.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.19 -0.913 . . . . 2.86 109.932 176.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.456 ' CD1' HG13 ' A' ' 105' ' ' VAL . 78.7 mt -75.94 -42.91 47.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.77 111.633 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.523 HE21 ' C ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -77.06 -4.08 42.46 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.591 -0.843 . . . . 2.77 110.208 174.384 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -80.69 -28.74 36.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 3.34 110.159 169.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.561 ' OH ' ' HE3' ' A' ' 94' ' ' LYS . 19.5 m-85 -75.52 -51.08 13.78 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.178 0.513 . . . . 3.82 110.299 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 66' ' ' ASP . . . -108.68 131.8 54.56 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 115.717 -0.674 . . . . 1.19 109.468 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.537 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 13.2 m-20 -83.06 99.67 10.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.388 1.089 . . . . 1.77 109.553 -177.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -173.93 173.61 3.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 112.662 -2.063 . . . . 1.2 106.378 176.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.511 ' OE1' ' HE2' ' A' ' 78' ' ' LYS . 6.5 mt-10 -87.58 91.1 8.62 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 118.884 -1.127 . . . . 1.77 108.608 173.207 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.456 HG23 ' HB ' ' A' ' 79' ' ' ILE . 40.7 t -81.07 114.93 22.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.507 -0.769 . . . . 1.66 109.895 -178.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.461 ' O ' HD13 ' A' ' 80' ' ' LEU . 33.0 mtp180 -108.77 110.83 22.31 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.531 -0.914 . . . . 3.21 108.531 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 95' ' ' LEU . 5.1 m -106.01 126.38 61.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.41 0.624 . . . . 1.33 110.646 -172.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 106' ' ' ARG . 49.4 mmt-85 -125.29 147.95 48.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.857 -0.61 . . . . 3.2 110.96 -174.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 14.5 t -86.42 136.48 33.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.746 -0.661 . . . . 1.25 110.168 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 p -127.05 109.26 20.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.234 0.54 . . . . 1.93 111.034 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -100.39 -17.99 16.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.046 -0.525 . . . . 1.68 111.397 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.7 m -138.34 151.61 69.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.446 . . . . 1.09 110.767 -177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.463 ' HA ' HD12 ' A' ' 34' ' ' LEU . 72.7 Cg_exo -49.21 -44.92 31.84 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.612 2.208 . . . . 0.7 112.413 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.511 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 14.5 t70 -59.37 -40.22 85.81 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.838 -0.619 . . . . 2.04 111.667 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -55.11 -44.61 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.347 0.404 . . . . 2.21 111.294 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.34 98.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 1.27 110.79 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -62.02 -30.79 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 1.97 110.734 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 112' ' ' ASP . 23.4 mmt180 -68.79 -54.57 15.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 4.92 110.656 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -63.44 -37.08 85.89 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.174 -0.467 . . . . 1.18 111.394 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.42 -41.86 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 1.21 110.489 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.425 ' HE2' ' HA ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -60.73 -46.73 89.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 3.07 110.02 178.162 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.24 -45.05 96.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.666 -0.697 . . . . 2.48 110.588 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.75 -37.76 85.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.627 -0.715 . . . . 2.33 111.432 -176.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.6 t -69.55 -20.84 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.238 -0.437 . . . . 1.88 110.966 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 119' ' ' LYS . 57.1 mm-40 -97.44 -5.94 35.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.316 . . . . 2.53 110.714 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.64 -0.695 . . . . 2.76 110.176 -176.685 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.421 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.527 0.204 . . . . 2.65 110.591 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.4 m -125.46 146.95 49.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.144 -0.687 . . . . 1.23 109.144 172.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.426 ' CB ' HD21 ' A' ' 47' ' ' LEU . 84.5 mt -110.08 114.93 28.85 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.234 0.54 . . . . 1.11 111.075 -176.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.465 ' CE1' HD11 ' A' ' 48' ' ' ILE . 52.5 m-85 -111.17 157.94 19.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.65 -0.705 . . . . 2.21 109.712 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.6 p -148.17 120.12 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.506 0.669 . . . . 1.71 111.371 176.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.558 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -103.14 163.53 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.242 -0.89 . . . . 1.75 108.917 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.545 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.7 tt -149.9 126.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 121.153 -0.219 . . . . 1.27 111.576 -178.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD12 HD13 ' A' ' 58' ' ' LEU . 6.7 mp -112.89 80.46 1.35 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.319 0.581 . . . . 1.88 109.499 172.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -150.53 115.84 5.41 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.268 -1.012 . . . . 1.57 108.268 171.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.52 86.75 7.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 117.588 -1.645 . . . . 3.28 110.08 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.635 ' O ' HD13 ' A' ' 35' ' ' ILE . 22.8 t70 -120.75 163.84 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 113.985 -1.461 . . . . 1.57 108.206 166.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 43.2 mttm -91.29 -40.68 11.36 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.935 -0.706 . . . . 3.5 111.453 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -37.72 21.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.515 -0.311 . . . . 3.83 111.238 -174.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.04 -37.18 73.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.97 0.414 . . . . 2.15 110.039 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.635 HD13 ' O ' ' A' ' 31' ' ' ASP . 1.7 mp -64.98 -43.71 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.834 -0.621 . . . . 1.31 110.618 177.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 54.6 mt-10 -65.09 -49.02 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 2.15 110.573 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -54.98 -41.97 71.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 2.05 111.142 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.68 72.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.546 . . . . 1.19 111.028 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -72.46 -29.85 64.04 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 111.918 0.34 . . . . 3.54 111.918 -176.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 67.5 mttm -64.31 -32.7 74.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.918 -0.489 . . . . 2.36 110.658 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.2 mmt -81.63 -46.57 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 2.32 110.625 174.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -64.1 -39.45 94.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 1.25 112.084 -178.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.86 -43.18 98.71 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.34 0.59 . . . . 2.41 109.794 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.29 -35.3 79.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.185 -0.916 . . . . 4.01 110.226 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' HB1' ' HG ' ' A' ' 47' ' ' LEU . . . -82.21 0.75 39.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.986 -0.552 . . . . 1.25 111.721 -178.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.4 t30 64.81 36.41 7.95 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.583 0.706 . . . . 2.78 110.743 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.426 HD21 ' CB ' ' A' ' 23' ' ' LEU . 12.6 mt -99.87 168.61 9.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.791 -0.64 . . . . 1.32 109.964 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' A' ' 24' ' ' PHE . 44.3 mt -106.36 101.57 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.142 -0.481 . . . . 1.3 109.913 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.477 ' HA ' HG11 ' A' ' 25' ' ' VAL . 3.5 tm? -90.54 118.3 29.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.849 -0.614 . . . . 1.77 110.241 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.558 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 63.5 mt -121.39 120.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.164 -0.471 . . . . 1.59 110.343 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.2 p -82.53 130.75 35.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.088 -0.506 . . . . 1.72 110.108 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.72 157.08 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.222 0.534 . . . . 1.96 111.891 -173.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.1 -164.38 37.24 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.183 -0.917 . . . . 1.24 112.883 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -44.16 166.69 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.516 1.302 . . . . 1.98 114.516 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 58' ' ' LEU . 30.5 mt-10 -39.77 -45.35 1.73 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.157 1.169 . . . . 2.21 114.157 -173.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 8.1 mm-40 -64.64 -40.09 94.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.125 0.488 . . . . 2.04 111.108 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.29 -35.22 75.8 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.482 -0.562 . . . . 2.16 109.482 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.511 HD13 HD12 ' A' ' 28' ' ' LEU . 51.4 tp -57.97 -37.17 73.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.624 -0.716 . . . . 1.39 110.518 174.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.52 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 52.8 mttp -53.01 -36.69 60.77 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.602 0.715 . . . . 2.76 110.925 176.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.536 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 45.7 mttp -82.95 -35.3 26.12 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.961 -1.018 . . . . 2.81 111.058 -176.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.64 -38.09 80.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.165 0.507 . . . . 1.17 110.207 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -63.41 -42.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.488 -0.778 . . . . 1.48 110.207 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -69.78 -29.39 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 3.28 110.303 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 67.3 mttm -62.54 -51.78 66.02 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.852 -0.425 . . . . 2.74 109.852 172.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -47.3 86.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.808 -0.633 . . . . 1.12 110.891 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.631 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 6.4 t70 -59.1 -41.65 88.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.787 -0.642 . . . . 1.36 110.963 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.89 -45.25 86.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.525 -0.307 . . . . 1.68 111.181 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 64' ' ' LYS . 81.5 mt -62.34 -34.08 62.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.22 0.533 . . . . 1.27 110.082 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.1 -48.28 68.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.731 -0.668 . . . . 1.18 110.642 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.631 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 73.1 mmtt -52.4 -34.87 50.16 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 112.151 0.426 . . . . 2.02 112.151 -177.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.519 ' HB3' ' HZ2' ' A' ' 71' ' ' LYS . 8.7 mtpm? -46.53 -51.38 15.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.822 0.701 . . . . 3.27 109.84 178.142 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -126.66 -53.02 1.46 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.194 1.183 . . . . 2.22 114.194 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -114.99 12.63 16.8 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 115.669 1.729 . . . . 2.6 115.669 -158.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.464 ' CB ' ' HD3' ' A' ' 70' ' ' LYS . 23.1 t -68.38 1.52 2.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.871 0.759 . . . . 3.69 112.494 -175.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 p -57.02 -40.09 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.42 -0.585 . . . . 2.97 109.42 171.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 21' ' ' MET . 6.4 tp10 -164.99 132.54 3.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.114 -0.948 . . . . 2.76 108.633 171.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -152.39 165.37 35.21 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.048 -0.353 . . . . 1.35 110.048 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -126.86 136.79 52.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.949 0.404 . . . . 2.24 109.991 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 54.1 mt -127.63 141.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.078 -0.51 . . . . 1.23 110.046 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.2 tt -113.88 132.75 55.8 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.59 -0.892 . . . . 1.98 108.59 175.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.53 106.31 19.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.959 -0.386 . . . . 1.2 109.959 175.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.545 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 96.0 mt -92.06 98.48 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.102 0.477 . . . . 2.19 109.963 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.596 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -119.43 179.15 4.29 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 109.581 -0.525 . . . . 1.82 109.581 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -122.32 99.86 6.64 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.599 -0.84 . . . . 2.04 110.033 170.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.7 ptmt -177.72 145.41 0.56 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.817 -1.083 . . . . 2.58 108.458 171.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -65.58 119.12 6.09 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 121.738 1.625 . . . . 1.08 111.336 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.7 m -123.02 123.04 67.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.432 0.634 . . . . 1.8 111.751 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.4 m -88.6 160.47 44.5 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.576 -0.738 . . . . 1.62 110.394 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -42.35 -44.75 7.97 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.813 3.008 . . . . 1.38 114.632 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.22 -38.43 79.93 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.737 0.303 . . . . 2.43 111.564 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -63.92 -33.71 76.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.345 -0.389 . . . . 4.04 110.753 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.2 -35.44 77.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.25 -0.432 . . . . 1.46 110.832 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -69.27 -25.26 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.503 . . . . 3.58 110.269 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -65.38 -50.36 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.316 -0.624 . . . . 2.86 109.316 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.86 -34.38 64.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.625 -0.716 . . . . 1.77 110.384 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -70.31 -22.67 62.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.811 -0.632 . . . . 2.77 110.658 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -80.4 -26.76 38.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.146 -0.479 . . . . 3.34 111.641 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -69.55 -31.4 69.58 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.049 0.388 . . . . 3.82 112.049 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 66' ' ' ASP . . . -120.19 154.13 35.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.983 -0.377 . . . . 1.19 109.983 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -91.21 96.98 10.85 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.67 -1.212 . . . . 1.77 108.353 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.17 173.43 2.19 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.833 -1.53 . . . . 1.2 108.377 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -98.74 91.53 5.14 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.962 -0.755 . . . . 1.77 108.962 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 5.5 p -85.51 135.6 24.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.273 0.558 . . . . 1.66 110.233 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -113.58 99.22 7.57 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.611 -0.885 . . . . 3.21 108.611 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.663 ' O ' ' HD2' ' A' ' 106' ' ' ARG . 33.5 m -76.62 129.52 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.368 -0.378 . . . . 1.33 110.544 -174.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.663 ' HD2' ' O ' ' A' ' 105' ' ' VAL . 1.9 mpt_? -131.35 143.19 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.511 -0.313 . . . . 3.2 110.796 -177.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.596 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 9.8 t -109.95 127.45 54.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.251 0.548 . . . . 1.25 110.188 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.1 m -127.98 147.97 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.915 -0.584 . . . . 1.93 110.905 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.9 p -118.36 -31.5 4.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.946 -0.57 . . . . 1.68 110.434 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 32.6 m -118.68 141.7 30.39 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 1.09 110.335 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 110' ' ' SER . 37.8 Cg_exo -58.33 -18.9 40.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.487 2.791 . . . . 0.7 114.311 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.02 -29.77 55.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.098 -0.376 . . . . 2.04 110.38 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.28 -41.35 94.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.503 . . . . 2.21 109.803 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.422 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -56.44 -46.79 80.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.356 -0.838 . . . . 1.27 110.527 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -61.14 -35.82 78.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.724 -0.671 . . . . 1.97 110.999 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.36 -52.36 62.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 4.92 110.925 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -64.06 -40.23 95.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 1.18 111.449 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 114' ' ' ALA . 87.1 mt -60.34 -42.9 92.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.636 0.255 . . . . 1.21 111.225 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.4 -38.74 90.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 3.07 110.846 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.566 ' O ' ' HB3' ' A' ' 124' ' ' GLU . 69.8 mm-40 -72.6 -22.75 60.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.291 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -89.79 -31.26 17.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.973 -0.558 . . . . 2.33 111.352 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.5 p -76.93 -59.16 2.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.319 -0.4 . . . . 1.88 111.019 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -108.85 65.26 0.62 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.348 0.594 . . . . 2.53 111.108 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.566 ' HB3' ' O ' ' A' ' 120' ' ' GLU . 7.2 pt-20 . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.868 -0.605 . . . . 2.76 111.014 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.862 0.363 . . . . 2.65 110.376 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.6 m -92.3 135.95 33.6 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.987 -0.745 . . . . 1.23 108.987 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -103.34 119.4 38.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.283 0.563 . . . . 1.11 111.183 -174.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -108.96 141.32 41.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.366 -0.833 . . . . 2.21 109.898 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 4.2 p -128.53 125.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.596 0.712 . . . . 1.71 110.512 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -111.16 157.22 20.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.158 -0.928 . . . . 1.75 108.961 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.585 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.6 tt -150.8 129.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.565 0.58 . . . . 1.27 112.565 -173.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.1 mp -119.71 79.05 1.38 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.505 -0.924 . . . . 1.88 108.505 166.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -149.47 89.75 1.66 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.812 -0.631 . . . . 1.57 109.433 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -85.05 86.56 7.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.393 -1.323 . . . . 3.28 110.594 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 8.6 m-20 -119.8 146.08 46.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.59 -1.186 . . . . 1.57 108.291 164.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 30.0 mmmt -71.02 -36.27 72.34 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.455 -0.498 . . . . 3.5 110.524 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -76.18 -47.71 23.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 3.83 110.972 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.587 ' CD2' ' HA ' ' A' ' 111' ' ' PRO . 1.9 tm? -59.33 -47.78 84.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.836 -0.62 . . . . 2.15 110.945 -175.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.4 mt -59.29 -39.53 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.597 -0.274 . . . . 1.31 111.224 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 65.7 mm-40 -60.85 -64.4 0.97 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.616 -0.265 . . . . 2.15 110.755 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.67 -34.23 74.01 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.448 -0.342 . . . . 2.05 111.503 -175.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.4 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 1.19 110.898 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -68.8 -36.84 78.75 Favored 'General case' 0 C--O 1.212 -0.918 0 C-N-CA 120.514 -0.475 . . . . 3.54 110.824 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.61 -35.76 80.6 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.874 -0.33 . . . . 2.36 110.883 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.9 mmt -76.54 -46.44 26.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.597 -0.274 . . . . 2.32 110.913 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.56 78.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.711 0.291 . . . . 1.25 111.333 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.54 -44.68 95.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.771 0.795 . . . . 2.41 108.959 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -65.92 -38.05 87.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.438 -1.256 . . . . 4.01 110.068 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.43 3.04 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.678 -0.692 . . . . 1.25 111.471 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.4 m120 58.33 36.86 25.85 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.263 -0.88 . . . . 2.78 111.419 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -97.25 140.91 31.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.853 -0.612 . . . . 1.32 109.351 177.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.39 101.45 7.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.789 -0.448 . . . . 1.3 109.789 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 41.0 tp -88.3 127.21 35.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 1.77 111.093 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -116.19 99.57 8.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.197 -0.668 . . . . 1.59 109.197 173.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 m -77.33 124.66 28.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.886 -0.597 . . . . 1.72 110.355 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 61' ' ' ALA . 12.9 m -133.85 -175.76 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.18 -0.464 . . . . 1.96 110.971 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.475 ' O ' ' HB3' ' A' ' 54' ' ' ASP . . . -152.85 99.58 0.19 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.945 -0.645 . . . . 1.24 111.999 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.475 ' HB3' ' O ' ' A' ' 53' ' ' GLY . 21.6 t70 102.75 155.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.273 1.429 . . . . 1.98 111.236 174.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.18 -47.24 65.64 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.171 0.434 . . . . 2.21 112.171 -172.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' O ' ' HE3' ' A' ' 60' ' ' LYS . 15.0 mm-40 -60.73 -34.9 75.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.93 0.395 . . . . 2.04 110.617 -178.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.444 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -76.25 -27.37 56.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.677 -0.692 . . . . 2.16 110.916 177.323 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.647 ' O ' HG13 ' A' ' 62' ' ' ILE . 65.0 tp -74.59 -36.63 63.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.469 -0.332 . . . . 1.39 110.56 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.89 -55.42 35.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.926 0.393 . . . . 2.76 112.0 -176.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.475 ' HE3' ' O ' ' A' ' 56' ' ' GLU . 14.4 ptpt -55.63 -30.66 61.32 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.49 -0.777 . . . . 2.81 111.685 174.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -74.55 -45.89 42.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.398 0.142 . . . . 1.17 111.081 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.647 HG13 ' O ' ' A' ' 58' ' ' LEU . 22.1 mt -60.63 -41.13 86.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.419 0.628 . . . . 1.48 109.354 176.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -60.44 -42.08 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.151 -0.931 . . . . 3.28 110.316 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -69.44 -37.22 77.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 2.74 111.112 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.87 72.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.946 0.403 . . . . 1.12 110.397 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.45 -32.54 73.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.992 -0.549 . . . . 1.36 110.665 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 14.4 t70 -60.33 -51.22 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.711 . . . . 1.68 110.685 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.36 -35.99 73.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 1.27 110.244 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HA ' ' HB3' ' A' ' 74' ' ' SER . . . -60.17 -61.19 2.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.669 -0.696 . . . . 1.18 111.142 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 75' ' ' SER . 50.0 mttp -72.89 -12.58 61.02 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.347 0.499 . . . . 2.02 112.347 -177.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 2.6 tppp? -51.77 -45.9 63.94 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.464 0.477 . . . . 3.27 110.439 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.438 ' HG3' ' H ' ' A' ' 73' ' ' ASN . 19.2 pt20 -129.85 -62.22 0.97 Allowed 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.612 1.338 . . . . 2.22 114.612 -177.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.438 ' H ' ' HG3' ' A' ' 72' ' ' GLN . 63.6 t30 -120.59 -41.77 2.57 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.204 0.816 . . . . 2.6 113.204 -170.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.47 ' HG ' ' HB1' ' A' ' 77' ' ' ALA . 19.8 t -79.67 24.32 0.38 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.045 -0.98 . . . . 3.69 113.187 -164.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.47 ' HA ' ' HA ' ' A' ' 70' ' ' LYS . 38.2 m -44.85 -29.64 0.84 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.252 0.834 . . . . 2.97 113.252 -172.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -112.83 99.05 7.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.558 -0.904 . . . . 2.76 108.558 168.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.47 ' HB1' ' HG ' ' A' ' 74' ' ' SER . . . -113.41 165.75 12.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.372 0.606 . . . . 1.35 112.075 -172.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -113.55 133.13 55.43 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.212 -1.033 . . . . 2.24 108.212 174.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.446 ' HB ' HG21 ' A' ' 103' ' ' VAL . 63.9 mt -128.7 140.58 48.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.805 0.336 . . . . 1.23 110.591 -174.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.39 134.45 52.3 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.063 -0.717 . . . . 1.98 109.063 177.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 96.4 mt -118.45 101.9 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.796 0.331 . . . . 1.2 110.16 175.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.585 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 99.3 mt -93.79 101.21 13.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 2.19 110.465 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.509 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -126.79 157.66 38.63 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 121.128 -0.229 . . . . 1.82 111.002 -179.414 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.524 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 2.0 tm-20 -98.07 101.5 13.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.062 -1.088 . . . . 2.04 108.062 170.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.524 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 63.8 mttm -171.42 151.66 3.07 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 114.775 -1.102 . . . . 2.58 108.302 -177.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.2 117.82 4.51 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.677 1.585 . . . . 1.08 109.906 167.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.6 m -124.33 139.04 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.137 0.494 . . . . 1.8 111.905 -174.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.9 p -101.21 160.0 27.86 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.693 -0.685 . . . . 1.62 110.322 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.3 -31.98 86.53 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.325 2.016 . . . . 1.38 111.572 173.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.92 -47.96 84.02 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.611 -0.722 . . . . 2.43 110.736 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -65.36 -36.49 84.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 4.04 110.324 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.09 -44.4 94.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.209 -0.451 . . . . 1.46 110.204 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.15 -33.46 75.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.503 . . . . 3.58 110.47 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.57 -40.78 97.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 2.86 110.707 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.94 -33.78 39.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.296 -0.411 . . . . 1.77 110.649 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.93 -34.73 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.445 -0.576 . . . . 2.77 109.445 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.515 ' HZ2' ' HB3' ' A' ' 97' ' ' LYS . 4.2 mmmp? -80.93 -20.83 41.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 3.34 111.349 174.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -66.29 -50.62 63.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 3.82 110.179 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.87 132.32 55.35 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.577 -0.527 . . . . 1.19 109.577 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.82 100.34 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.708 0.766 . . . . 1.77 109.697 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.97 -175.09 0.7 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.154 -1.384 . . . . 1.2 107.839 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -111.12 89.0 2.92 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.45 -0.574 . . . . 1.77 109.45 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.446 HG21 ' HB ' ' A' ' 79' ' ' ILE . 3.3 p -90.47 141.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.393 0.616 . . . . 1.66 110.016 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -124.47 107.46 11.11 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.445 -0.946 . . . . 3.21 108.445 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.8 m -82.22 139.77 17.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.43 -0.508 . . . . 1.33 109.987 -174.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -136.73 140.19 42.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.884 0.373 . . . . 3.2 110.688 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.509 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 8.8 t -95.11 131.86 40.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.015 -0.539 . . . . 1.25 109.869 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 114' ' ' ALA . 3.9 p -129.21 125.16 61.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.129 -0.487 . . . . 1.93 111.154 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.3 p -119.3 -2.03 10.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.22 -0.446 . . . . 1.68 111.129 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.0 m -154.63 147.34 17.81 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-N 116.784 -0.189 . . . . 1.09 111.247 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.587 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 32.5 Cg_exo -38.52 -53.99 1.65 Allowed 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 123.972 3.115 . . . . 0.7 114.602 176.393 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 41.1 m-20 -57.55 -38.33 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 2.04 111.991 -173.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.09 -47.71 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 2.21 110.372 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.41 ' HB3' HG22 ' A' ' 108' ' ' VAL . . . -60.86 -44.21 97.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.898 -0.592 . . . . 1.27 110.523 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.425 ' HZ2' ' HB2' ' A' ' 115' ' ' LYS . 9.8 mtmp? -62.55 -29.51 70.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 1.97 111.152 -178.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 112' ' ' ASP . 63.7 mtt180 -67.09 -53.14 33.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.485 -0.325 . . . . 4.92 110.41 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -65.58 -44.67 85.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.945 -0.571 . . . . 1.18 111.157 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 82.7 mt -57.36 -41.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 1.21 110.997 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.48 ' HA ' ' HE3' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -64.54 -47.09 80.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.786 -0.643 . . . . 3.07 110.526 -178.827 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.48 -50.12 64.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 2.48 111.074 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -58.31 -37.06 74.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.965 -0.561 . . . . 2.33 111.372 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.0 t -70.39 -55.58 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.245 -0.434 . . . . 1.88 110.65 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -135.59 90.66 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.383 0.611 . . . . 2.53 111.386 -175.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.275 -0.869 . . . . 2.76 109.778 176.786 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.443 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 1.3 pmm? . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.089 -0.338 . . . . 2.65 110.089 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -79.73 132.34 36.16 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.705 -0.398 . . . . 1.23 110.378 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 64.6 mt -111.62 120.05 40.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.851 0.358 . . . . 1.11 110.813 -177.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 69' ' ' ALA . 72.9 m-85 -113.43 155.79 24.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 2.21 110.586 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.448 ' HB ' HD23 ' A' ' 49' ' ' LEU . 22.8 t -135.42 111.73 13.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.137 -0.483 . . . . 1.71 110.522 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.06 154.17 19.59 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.801 -1.185 . . . . 1.75 107.801 167.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.547 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.5 tt -151.17 125.12 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.878 -0.329 . . . . 1.27 111.084 -177.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -112.81 78.83 1.16 Allowed 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.775 -0.824 . . . . 1.88 108.775 168.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -150.95 100.31 2.79 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.473 -0.785 . . . . 1.57 109.401 173.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -82.24 85.72 6.78 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 117.863 -1.535 . . . . 3.28 109.506 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.528 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 10.6 t70 -120.75 115.67 23.76 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.727 -1.124 . . . . 1.57 107.993 167.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.6 -37.35 83.59 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.819 0.674 . . . . 3.5 112.819 -170.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HZ1' ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -86.18 -26.65 25.02 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.589 -0.444 . . . . 3.83 110.772 -179.027 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -63.64 -55.52 22.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.316 -0.624 . . . . 2.15 109.316 174.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.8 mt -52.48 -31.63 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.401 -0.818 . . . . 1.31 110.813 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -65.08 -58.38 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 2.15 110.559 175.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.68 -41.71 99.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.554 . . . . 2.05 111.215 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.62 96.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.004 -0.544 . . . . 1.19 111.14 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.571 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 45.4 ttt180 -70.4 -47.94 58.5 Favored 'General case' 0 C--O 1.21 -1.007 0 C-N-CA 120.102 -0.639 . . . . 3.54 110.392 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.52 -34.86 69.55 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.876 0.37 . . . . 2.36 110.739 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.4 ' SD ' ' HB ' ' A' ' 118' ' ' ILE . 33.1 ttm -62.64 -52.58 62.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.863 -0.608 . . . . 2.32 110.231 173.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -65.96 -29.29 69.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 1.25 111.503 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 39.4 mm-40 -59.51 -52.2 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.542 0.687 . . . . 2.41 109.679 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -74.36 -28.07 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.005 -0.998 . . . . 4.01 111.331 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.36 -0.64 53.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.756 0.312 . . . . 1.25 111.342 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.4 m120 60.19 38.55 20.06 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.838 -0.619 . . . . 2.78 111.485 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.45 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 15.3 mt -103.01 161.31 13.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.098 -0.705 . . . . 1.32 109.098 177.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.412 HD11 ' CE1' ' A' ' 24' ' ' PHE . 50.4 mt -101.33 97.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.235 0.54 . . . . 1.3 110.939 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.448 HD23 ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -81.68 120.63 25.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.51 -0.768 . . . . 1.77 108.96 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.4 mt -117.16 108.16 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.868 -0.419 . . . . 1.59 109.868 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 p -72.39 126.5 29.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.127 -0.488 . . . . 1.72 110.943 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.437 HG11 ' HG2' ' A' ' 57' ' ' GLU . 40.4 t -134.5 155.43 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.739 0.304 . . . . 1.96 110.984 -174.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.588 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -155.91 94.94 0.14 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.561 -0.828 . . . . 1.24 111.897 168.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.588 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 14.2 t70 144.53 140.89 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.756 1.622 . . . . 1.98 107.387 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -69.22 -25.29 64.24 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.843 0.354 . . . . 2.21 111.053 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 43.9 mt-10 -86.74 -25.48 24.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.882 -0.414 . . . . 2.04 109.882 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.437 ' HG2' HG11 ' A' ' 52' ' ' VAL . 34.3 tt0 -70.71 -28.33 64.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.18 -0.674 . . . . 2.16 109.18 171.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.415 ' O ' HG13 ' A' ' 62' ' ' ILE . 14.4 mt -60.14 -44.15 95.16 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.804 -0.443 . . . . 1.39 109.804 169.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 65.1 mttm -54.73 -27.73 43.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.586 . . . . 2.76 110.994 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -90.1 -45.11 9.36 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.351 -0.84 . . . . 2.81 110.645 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.16 75.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 1.17 111.386 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 58' ' ' LEU . 65.1 mt -69.3 -38.87 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.983 0.42 . . . . 1.48 109.971 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -65.65 -35.71 81.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.101 0.476 . . . . 3.28 109.862 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -68.56 -36.47 78.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.619 -0.718 . . . . 2.74 110.7 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.09 82.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.027 0.441 . . . . 1.12 109.893 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.04 -41.44 78.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.577 -0.738 . . . . 1.36 110.381 174.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.43 -50.16 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.586 -0.734 . . . . 1.68 111.488 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.38 -38.4 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.141 0.496 . . . . 1.27 110.808 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -69.25 -49.15 58.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.841 -0.618 . . . . 1.18 111.525 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.588 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 0.8 OUTLIER -73.8 -18.4 60.96 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.266 0.839 . . . . 2.02 113.266 -170.731 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.7 -33.06 75.01 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.182 -0.607 . . . . 3.27 109.506 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -125.6 -53.51 1.57 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.626 1.343 . . . . 2.22 114.626 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 21' ' ' MET . 1.8 t30 -115.66 16.18 16.47 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.32 1.23 . . . . 2.6 114.32 -161.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.588 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -62.46 14.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 115.189 1.552 . . . . 3.69 115.189 -172.281 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -62.06 -30.8 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.612 -0.885 . . . . 2.97 108.612 168.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -170.15 137.23 1.51 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.266 -0.879 . . . . 2.76 109.547 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.65 137.63 35.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.724 0.297 . . . . 1.35 110.745 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.427 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 65.4 mttm -123.56 141.84 51.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.199 -0.667 . . . . 2.24 109.199 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.436 ' HB ' HG22 ' A' ' 103' ' ' VAL . 61.8 mt -138.72 139.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.57 0.224 . . . . 1.23 111.266 -174.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.8 mt -101.07 143.09 31.62 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.09 -0.337 . . . . 1.98 110.09 169.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 92.0 mt -120.19 96.04 4.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.864 -0.791 . . . . 1.2 108.864 165.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.547 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 25.1 mt -77.76 141.61 39.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.114 -0.698 . . . . 2.19 109.114 174.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.1 pp -170.29 164.5 8.93 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.902 -0.407 . . . . 1.82 109.902 177.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 40.3 mt-10 -117.43 99.19 6.83 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.006 -0.677 . . . . 2.04 109.935 174.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -177.13 159.08 1.42 Allowed Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 114.992 -1.003 . . . . 2.58 108.524 170.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.16 118.89 5.81 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.247 1.965 . . . . 1.08 112.019 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.7 m -116.32 127.87 73.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.253 0.549 . . . . 1.8 110.895 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.4 m -91.82 158.43 40.0 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.988 -0.551 . . . . 1.62 110.021 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.71 -44.68 25.83 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.729 2.286 . . . . 1.38 113.38 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 44.2 mt-10 -72.99 -12.18 60.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.513 -0.312 . . . . 2.43 111.833 -175.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -69.21 -39.29 78.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.341 -0.614 . . . . 4.04 109.341 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.414 ' OE2' ' HA ' ' A' ' 104' ' ' ARG . 39.5 tt0 -69.5 -38.02 77.45 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.495 -0.775 . . . . 1.46 110.313 177.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -60.22 -43.33 96.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.94 -0.573 . . . . 3.58 110.686 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 64.6 mttp -63.87 -38.37 90.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.4 -0.364 . . . . 2.86 111.11 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.52 -34.21 54.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.888 0.375 . . . . 1.77 110.83 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.97 -35.71 80.57 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.047 -0.723 . . . . 2.77 109.047 176.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -75.49 -28.08 59.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.117 -0.492 . . . . 3.34 111.406 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -63.62 -42.76 98.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 3.82 110.872 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.73 128.54 48.95 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.153 -0.476 . . . . 1.19 110.097 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.24 101.21 1.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.56 0.695 . . . . 1.77 109.749 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.79 -179.63 0.98 Allowed 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 114.322 -1.308 . . . . 1.2 107.696 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -104.4 89.29 3.19 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 120.088 -0.645 . . . . 1.77 109.275 170.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.436 HG22 ' HB ' ' A' ' 79' ' ' ILE . 3.0 p -87.92 135.77 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.444 0.64 . . . . 1.66 109.705 178.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.414 ' HA ' ' OE2' ' A' ' 92' ' ' GLU . 39.8 ttm180 -119.71 99.81 6.88 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.223 -1.029 . . . . 3.21 108.223 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.3 m -72.42 133.71 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.274 -0.639 . . . . 1.33 109.274 -175.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' HB2' HD21 ' A' ' 82' ' ' LEU . 3.4 mmp_? -126.45 113.25 16.6 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.163 -0.336 . . . . 3.2 110.42 -174.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.9 t -89.25 120.7 30.85 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.392 -0.595 . . . . 1.25 109.392 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 24.0 m -106.29 139.33 27.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 1.93 111.376 -174.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.0 p -110.34 -4.74 15.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.917 -0.583 . . . . 1.68 111.161 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.416 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 58.9 m -161.82 151.72 13.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.66 -0.496 . . . . 1.09 109.66 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.492 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 51.7 Cg_exo -54.79 -38.44 91.98 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.258 1.972 . . . . 0.7 112.229 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.56 -40.66 95.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.829 -0.623 . . . . 2.04 110.922 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.416 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 42.2 mm-40 -58.33 -47.39 83.87 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.228 -0.442 . . . . 2.21 110.208 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.05 74.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.722 -0.672 . . . . 1.27 110.885 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 115' ' ' LYS . 8.3 mtpm? -63.76 -38.43 91.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.775 -0.648 . . . . 1.97 110.846 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 120' ' ' GLU . 1.2 mpt_? -65.11 -44.05 90.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.462 -0.335 . . . . 4.92 111.119 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -61.45 -42.29 98.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.667 0.27 . . . . 1.18 110.753 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.4 ' HB ' ' SD ' ' A' ' 41' ' ' MET . 66.3 mt -70.62 -39.5 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.381 -0.372 . . . . 1.21 110.888 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.96 -45.67 86.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.888 0.375 . . . . 3.07 110.397 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 45.4 mt-10 -69.65 -41.4 75.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.575 . . . . 2.48 110.264 178.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 64.5 t80 -63.84 -21.69 66.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 2.33 111.604 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.7 m -64.23 -26.75 68.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.784 0.326 . . . . 1.88 110.387 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 178.83 88.71 0.01 OUTLIER 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.868 -0.605 . . . . 2.53 109.781 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.424 ' HG2' ' OXT' ' A' ' 124' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.11 -0.948 . . . . 2.76 110.811 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.533 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 25.4 ptt? . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 120.664 0.269 . . . . 2.65 110.52 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.594 ' OG1' ' HB2' ' A' ' 73' ' ' ASN . 3.3 m -85.01 127.67 34.3 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.561 -0.533 . . . . 1.23 109.561 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -104.72 114.95 29.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.251 0.548 . . . . 1.11 110.809 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.442 ' HB2' HG12 ' A' ' 79' ' ' ILE . 37.5 m-85 -105.98 157.87 17.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.54 -0.755 . . . . 2.21 109.325 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 2.6 p -143.43 130.86 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.805 0.812 . . . . 1.71 111.127 173.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mp -115.98 162.96 16.6 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.644 -1.162 . . . . 1.75 109.135 176.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.1 tt -148.37 128.76 4.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 116.386 -0.37 . . . . 1.27 110.448 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.7 tp -124.57 77.9 1.62 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 119.625 -0.83 . . . . 1.88 109.235 170.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.8 t -149.26 88.94 1.61 Allowed 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 107.099 -1.445 . . . . 1.57 107.099 170.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -85.01 88.86 7.49 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.332 -1.347 . . . . 3.28 111.393 -170.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.528 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 8.9 t70 -119.27 140.12 50.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.346 -1.297 . . . . 1.57 108.08 162.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 13.8 mptt -58.05 -61.47 2.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.672 0.669 . . . . 3.5 112.037 -175.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -68.92 -31.0 69.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.489 0.185 . . . . 3.83 111.253 -174.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.628 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 30.1 tp -57.45 -55.3 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 2.15 110.349 174.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.5 mt -59.0 -43.24 88.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 1.31 111.071 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.463 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 45.2 mt-10 -62.7 -51.97 65.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.407 -0.36 . . . . 2.15 111.382 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -67.39 -35.68 79.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.641 0.258 . . . . 2.05 111.376 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.11 79.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 1.19 110.606 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -63.96 -44.97 91.2 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.19 -0.459 . . . . 3.54 110.895 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 65.9 mttm -52.75 -34.62 53.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.909 0.385 . . . . 2.36 110.945 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.9 tpt -72.61 -55.03 7.51 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.885 -0.598 . . . . 2.32 111.328 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -32.38 61.04 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.325 0.491 . . . . 1.25 112.325 -174.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -61.28 -45.15 95.68 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.344 -0.614 . . . . 2.41 109.344 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -79.51 -20.41 47.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.779 -0.646 . . . . 4.01 111.309 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.2 1.65 17.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.01 0.433 . . . . 1.25 111.04 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 63.37 32.97 14.25 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.327 -0.852 . . . . 2.78 110.688 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.61 140.56 31.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.627 -0.715 . . . . 1.32 109.225 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.5 mt -78.94 91.73 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.374 0.607 . . . . 1.3 109.799 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 62.2 tp -89.94 133.43 34.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.215 -0.902 . . . . 1.77 111.037 -176.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.0 mt -122.92 99.78 7.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.872 -0.604 . . . . 1.59 109.663 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 p -81.35 114.38 20.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.806 -0.634 . . . . 1.72 110.961 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.442 HG23 ' HA ' ' A' ' 58' ' ' LEU . 6.1 m -123.84 164.58 21.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.282 -0.417 . . . . 1.96 110.97 -177.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.516 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -140.98 97.38 0.21 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.585 -0.817 . . . . 1.24 112.305 176.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.516 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.0 t70 135.42 149.99 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.956 1.703 . . . . 1.98 108.925 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -62.05 -43.12 99.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.928 0.394 . . . . 2.21 110.67 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.42 -30.38 67.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 2.04 110.91 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -62.51 -41.87 99.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 2.16 110.173 175.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.442 ' HA ' HG23 ' A' ' 52' ' ' VAL . 24.3 tp -62.08 -41.52 98.27 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.825 -0.625 . . . . 1.39 109.998 175.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -60.25 -25.51 65.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.085 -0.961 . . . . 2.76 110.936 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 49.8 mttm -90.57 -35.82 14.8 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.248 -0.887 . . . . 2.81 111.096 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.3 95.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.156 0.503 . . . . 1.17 109.751 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.0 mt -58.64 -46.19 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.858 . . . . 1.48 110.795 176.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -66.21 -43.25 87.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 3.28 111.305 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 7.1 mtpm? -69.15 -27.35 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 2.74 111.112 -177.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.39 -33.35 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 1.12 110.538 177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.47 -43.44 98.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 1.36 110.193 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.9 -36.99 75.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.994 -0.548 . . . . 1.68 111.303 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.5 mt -74.66 -39.16 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.003 0.43 . . . . 1.27 110.139 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.14 -53.85 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.754 -0.657 . . . . 1.18 110.94 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.699 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 29.3 mmtp -59.18 -31.12 68.71 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.946 -0.57 . . . . 2.02 111.417 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.48 -41.57 73.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.551 -0.749 . . . . 3.27 110.476 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 6.8 pt20 -125.23 -54.79 1.58 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.556 1.317 . . . . 2.22 114.556 -176.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.594 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 0.8 OUTLIER -117.95 14.62 14.19 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.115 1.895 . . . . 2.6 116.115 -162.738 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.699 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 5.2 p -60.22 -1.73 0.36 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.361 1.245 . . . . 3.69 114.361 -172.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.7 m -58.91 -32.89 69.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.21 -0.663 . . . . 2.97 109.21 169.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -165.08 103.6 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.079 -0.964 . . . . 2.76 109.312 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.31 150.89 39.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.935 -0.575 . . . . 1.35 109.685 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.533 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 47.5 mtmt -136.17 139.47 42.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.081 0.467 . . . . 2.24 110.56 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.474 ' HB ' HG21 ' A' ' 103' ' ' VAL . 53.9 mt -124.0 142.16 41.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.663 -0.698 . . . . 1.23 109.632 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.04 126.49 52.4 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.483 -0.932 . . . . 1.98 108.483 174.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.6 mt -116.18 107.86 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.58 -0.448 . . . . 1.2 110.474 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 ' HB2' ' A' ' 106' ' ' ARG . 96.8 mt -95.26 99.04 11.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.499 . . . . 2.19 110.04 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -123.05 159.5 28.29 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 121.161 -0.215 . . . . 1.82 110.603 -178.767 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -102.49 101.55 11.76 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.527 -0.869 . . . . 2.04 108.998 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -174.38 144.22 0.92 Allowed Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 114.933 -1.031 . . . . 2.58 108.452 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.17 119.97 7.1 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 121.917 1.744 . . . . 1.08 110.635 170.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 m -124.6 130.86 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.337 0.589 . . . . 1.8 111.677 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.0 p -100.12 172.82 4.22 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.417 -0.81 . . . . 1.62 109.855 175.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -54.27 -29.64 58.28 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 121.815 1.677 . . . . 1.38 111.542 171.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 42.3 mt-10 -70.84 -45.07 65.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.483 -0.78 . . . . 2.43 110.434 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.12 -45.64 83.31 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.917 0.389 . . . . 4.04 110.525 174.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.73 -44.56 86.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.662 -0.699 . . . . 1.46 110.784 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -61.55 -37.22 82.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.665 -0.698 . . . . 3.58 110.9 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 34.8 mmtp -59.78 -46.3 89.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 2.86 110.701 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.7 mt -80.18 -35.33 36.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.988 -0.551 . . . . 1.77 110.867 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -70.94 -29.32 65.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.986 -0.552 . . . . 2.77 110.818 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -81.56 -29.19 33.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.349 -0.387 . . . . 3.34 111.506 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -65.58 -50.39 65.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 3.82 111.0 -176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.24 148.57 24.96 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.652 -0.87 . . . . 1.19 108.652 174.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -88.9 99.25 12.25 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.652 -1.219 . . . . 1.77 108.754 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.0 160.38 2.28 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.06 -1.427 . . . . 1.2 108.528 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -91.58 89.16 7.05 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.727 -0.842 . . . . 1.77 108.727 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.474 HG21 ' HB ' ' A' ' 79' ' ' ILE . 8.8 p -84.22 131.56 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.602 0.715 . . . . 1.66 110.714 -176.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -99.77 98.92 9.68 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.107 -0.951 . . . . 3.21 108.58 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.65 116.45 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.182 0.515 . . . . 1.33 109.824 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.453 ' HB2' HD22 ' A' ' 82' ' ' LEU . 5.4 mmp_? -119.53 137.36 53.87 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 122.156 -0.34 . . . . 3.2 110.42 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 12.4 t -90.6 132.87 35.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.537 -0.542 . . . . 1.25 109.537 178.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.41 HG22 ' HB1' ' A' ' 114' ' ' ALA . 10.4 p -126.33 146.52 32.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.406 -0.361 . . . . 1.93 111.125 -175.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.3 p -131.5 -17.52 2.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 1.68 111.331 175.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 p -138.4 140.59 28.67 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-O 121.367 0.603 . . . . 1.09 111.375 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.628 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 88.7 Cg_exo -50.18 -36.81 47.32 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.459 3.439 . . . . 0.7 114.032 -177.718 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.15 -38.2 78.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.468 -0.333 . . . . 2.04 111.199 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.58 -36.63 81.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.782 0.325 . . . . 2.21 110.127 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.41 ' HB1' HG22 ' A' ' 108' ' ' VAL . . . -56.95 -50.02 73.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 1.27 110.114 175.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.473 ' HZ3' ' HB2' ' A' ' 115' ' ' LYS . 10.0 mtmp? -61.32 -31.69 71.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.725 -0.67 . . . . 1.97 111.172 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -65.31 -51.52 60.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.275 -0.421 . . . . 4.92 110.798 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -64.18 -39.14 93.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 1.18 110.82 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.12 -46.51 91.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 1.21 110.505 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -60.42 -46.8 88.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 3.07 110.92 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -65.52 -35.68 81.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.779 -0.646 . . . . 2.48 111.351 -177.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -77.97 -32.84 51.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.947 0.403 . . . . 2.33 110.552 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.2 t -64.31 -46.85 81.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 1.88 110.755 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -90.71 73.54 6.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.04 -0.527 . . . . 2.53 111.748 -173.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.72 -0.673 . . . . 2.76 109.534 174.06 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.627 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 49.9 ttp . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.307 -0.257 . . . . 2.17 110.307 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -83.14 121.49 27.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.252 -0.277 . . . . 0.82 110.252 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -100.66 123.9 45.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.14 0.495 . . . . 0.39 111.03 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 44.8 m-85 -113.92 161.72 17.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.86 -0.609 . . . . 1.3 109.969 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.3 p -149.14 132.33 7.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.499 0.666 . . . . 1.08 111.057 172.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.506 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -111.31 160.89 16.61 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.927 -1.033 . . . . 1.18 109.05 175.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.548 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 17.9 tt -151.07 126.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.522 -0.471 . . . . 0.55 111.734 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -117.24 78.55 1.23 Allowed 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.826 -1.176 . . . . 1.24 107.826 165.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.6 m -149.85 89.65 1.63 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.176 -0.92 . . . . 1.27 110.128 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.438 ' HA ' HD11 ' A' ' 35' ' ' ILE . 40.7 m-80 -90.2 87.39 6.83 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 118.055 -1.458 . . . . 2.75 110.731 -177.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.618 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 7.4 t70 -120.66 135.32 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.331 -1.304 . . . . 1.57 108.204 162.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -56.31 -56.82 16.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 118.771 0.714 . . . . 2.93 112.048 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -72.69 -34.45 67.17 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.084 -0.246 . . . . 3.44 111.476 -174.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 41.1 tp -57.62 -50.41 73.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.673 0.273 . . . . 1.46 110.553 176.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 30' ' ' ASN . 57.8 mt -59.72 -39.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 0.69 110.667 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 8.5 mm-40 -57.78 -58.01 10.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 2.15 110.427 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 59.8 mm-40 -59.6 -44.49 93.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.884 -0.598 . . . . 2.05 111.488 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.38 85.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.51 111.175 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 39' ' ' ARG . 15.0 ttt180 -66.49 -50.69 62.43 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 120.566 -0.454 . . . . 2.96 110.251 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 95.5 mttt -53.59 -39.8 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 1.88 111.287 -176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.4 tpt -67.26 -53.84 26.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.861 -0.609 . . . . 1.68 110.936 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -72.99 -27.05 61.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.49 111.767 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.2 -46.04 78.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.193 0.521 . . . . 2.41 110.098 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -78.16 -16.81 57.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.788 -0.642 . . . . 3.63 110.425 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.41 -2.51 57.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.87 -0.605 . . . . 0.66 109.97 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.3 t30 60.7 34.19 20.05 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.027 -0.988 . . . . 2.18 111.355 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 19.9 mt -86.89 155.17 20.35 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.078 -0.712 . . . . 0.59 109.078 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.486 HD12 ' CE2' ' A' ' 24' ' ' PHE . 50.0 mt -90.27 92.02 3.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.452 0.644 . . . . 0.53 109.902 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 39' ' ' ARG . 48.8 tp -92.33 116.61 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.028 -0.987 . . . . 1.14 110.479 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.506 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 51.3 mt -108.97 106.89 21.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.065 0.46 . . . . 0.94 109.786 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.3 p -87.78 112.38 22.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.856 -0.611 . . . . 1.17 111.03 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 58' ' ' LEU . 35.7 m -125.94 166.96 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.446 -0.576 . . . . 1.38 109.446 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -136.97 95.35 0.23 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.81 -1.186 . . . . 1.24 112.521 174.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 30.9 t70 154.89 150.12 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.324 1.45 . . . . 1.98 108.1 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.41 -38.37 81.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.124 0.488 . . . . 2.21 110.267 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 7.3 mm-40 -72.28 -40.55 67.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.102 -0.499 . . . . 2.04 110.051 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.14 -31.6 72.1 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.185 -0.461 . . . . 2.16 111.11 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' HA ' HG21 ' A' ' 52' ' ' VAL . 45.8 tp -60.58 -40.77 92.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.83 110.11 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -67.94 -19.68 64.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.898 -0.592 . . . . 2.26 111.05 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 6.3 mmpt? -86.86 -33.48 19.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.717 -0.674 . . . . 2.35 109.754 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.74 -43.71 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.634 -0.712 . . . . 0.47 109.674 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.406 HG22 ' HB2' ' A' ' 99' ' ' ALA . 87.9 mt -57.68 -44.02 84.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.311 -0.859 . . . . 0.83 110.458 174.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -61.76 -42.93 99.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 2.76 110.725 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' O ' HG13 ' A' ' 68' ' ' ILE . 38.4 ttmt -62.22 -38.87 90.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 2.11 110.051 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.05 99.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.38 110.421 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 24.4 t70 -59.58 -44.95 93.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.826 -0.625 . . . . 1.36 110.461 176.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -62.54 -48.25 80.34 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.053 -0.522 . . . . 1.68 111.524 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 64' ' ' LYS . 81.7 mt -62.68 -44.24 99.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 120.857 0.361 . . . . 0.51 110.717 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -64.66 -42.73 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.53 110.81 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.582 ' NZ ' ' HB2' ' A' ' 100' ' ' ASP . 9.1 tppt? -54.75 -36.08 64.43 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.502 -0.772 . . . . 1.5 111.95 -174.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? . . . . . 0 N--CA 1.445 -0.715 0 CA-C-N 115.75 -0.659 . . . . 2.71 110.571 -178.637 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 109.315 -0.624 . . . . 0.71 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.627 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 54.2 mtmt -126.33 137.7 53.51 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.908 -0.405 . . . . 1.67 109.908 177.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.502 ' HB ' HG23 ' A' ' 103' ' ' VAL . 53.3 mt -130.38 142.76 42.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.739 -0.664 . . . . 0.49 109.919 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 21.6 tp -113.88 136.1 53.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.09 -0.707 . . . . 1.4 109.09 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.485 HG22 HD22 ' A' ' 83' ' ' LEU . 70.4 mt -120.31 109.61 26.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.868 -0.419 . . . . 0.38 109.868 176.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 71.1 mt -93.67 104.77 16.85 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.486 -0.561 . . . . 1.61 109.486 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.644 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.5 pt? -128.26 156.43 43.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 120.626 0.251 . . . . 1.17 110.485 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -99.33 98.32 9.28 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.437 -1.32 . . . . 2.04 107.437 169.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -175.16 140.29 0.63 Allowed Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.808 -1.087 . . . . 2.02 108.368 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.8 118.63 5.56 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 121.656 1.57 . . . . 0.85 110.722 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.1 m -110.98 129.8 65.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.226 0.536 . . . . 1.17 111.712 -175.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 m -101.1 157.27 33.97 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.786 -0.643 . . . . 1.44 110.495 176.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.409 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 80.6 Cg_exo -47.17 -51.41 9.46 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.9 2.4 . . . . 1.14 112.994 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.71 -36.82 77.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.497 -0.32 . . . . 2.43 111.04 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -62.97 -39.14 93.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 3.78 110.108 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.38 -45.09 92.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.8 -0.636 . . . . 1.46 110.789 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 67.5 mmtt -73.18 -22.23 60.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 3.25 110.779 -174.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -64.42 -46.51 82.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.968 0.413 . . . . 2.44 110.1 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.77 -32.68 62.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.028 -0.533 . . . . 1.14 110.274 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.445 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 24.2 tm0? -65.31 -36.5 84.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.666 . . . . 2.2 110.52 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -81.35 -9.52 59.73 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.889 -0.324 . . . . 2.87 111.813 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -78.4 -51.35 10.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 3.64 109.871 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -107.56 129.89 54.93 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.739 -0.837 . . . . 0.6 108.739 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.582 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 8.3 m-20 -75.73 99.5 4.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.018 0.913 . . . . 1.77 109.547 -173.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.09 179.0 1.35 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.204 -1.816 . . . . 0.5 107.766 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.529 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 68.8 mm-40 -103.91 94.81 5.61 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.268 -0.641 . . . . 1.77 109.268 171.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.5 p -92.19 139.96 17.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.364 0.602 . . . . 1.05 110.323 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.423 ' O ' HD12 ' A' ' 80' ' ' LEU . 70.1 mtt180 -115.8 110.76 19.51 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.341 -0.845 . . . . 2.71 108.781 174.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m -81.03 133.14 29.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.025 -0.731 . . . . 0.71 109.025 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.91 121.42 21.68 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 121.04 -0.264 . . . . 2.63 111.278 -172.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 9.3 t -83.4 129.8 35.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.529 -0.545 . . . . 0.64 109.529 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.3 m -116.47 156.09 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.185 0.516 . . . . 1.34 111.384 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.3 p -125.21 -63.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.446 -0.797 . . . . 1.22 110.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.6 m -113.28 153.46 45.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.439 -0.346 . . . . 0.93 111.077 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.517 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 86.1 Cg_exo -43.36 -52.01 5.39 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.398 2.732 . . . . 0.6 113.806 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.07 -32.35 70.85 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.471 -0.331 . . . . 2.04 111.82 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.67 -44.47 86.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 2.21 110.011 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.33 -40.92 97.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.821 -0.627 . . . . 0.48 110.772 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 111' ' ' PRO . 50.1 mtpt -64.27 -34.19 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 1.53 110.497 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.437 ' HD2' ' CZ3' ' A' ' 117' ' ' TRP . 10.7 ttm180 -64.75 -42.14 95.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 4.21 110.239 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.437 ' CZ3' ' HD2' ' A' ' 116' ' ' ARG . 6.1 m95 -68.9 -34.83 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.842 -0.617 . . . . 0.99 110.748 -178.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 114' ' ' ALA . 74.6 mt -63.46 -40.1 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.849 -0.426 . . . . 0.57 109.849 175.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -63.76 -41.82 97.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 2.66 110.65 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.11 -19.35 63.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.315 0.579 . . . . 2.48 110.708 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -91.22 -50.68 5.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.553 -0.749 . . . . 1.43 111.67 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 m -84.43 -20.28 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.74 0.305 . . . . 1.31 111.607 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 121.301 0.572 . . . . 2.53 110.527 -174.342 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.628 0.252 . . . . 2.17 110.336 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -97.38 136.24 38.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.843 -0.428 . . . . 0.82 109.843 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.42 124.96 46.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.056 0.455 . . . . 0.39 110.527 -177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CE1' HD12 ' A' ' 48' ' ' ILE . 48.7 m-85 -113.02 151.22 30.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.966 -0.561 . . . . 1.3 110.343 -176.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.533 HG13 ' HA ' ' A' ' 49' ' ' LEU . 3.9 p -133.86 113.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.795 0.807 . . . . 1.08 110.857 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 58' ' ' LEU . 6.8 mp -97.65 151.32 20.23 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.945 -1.025 . . . . 1.18 108.445 177.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.782 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 17.0 tt -151.68 119.85 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.026 -0.67 . . . . 0.55 112.754 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mp -105.63 76.78 1.22 Allowed 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 108.824 -0.806 . . . . 1.24 108.824 166.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.7 m -149.45 88.69 1.58 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.005 -0.998 . . . . 1.27 108.826 175.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -94.61 90.54 6.18 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 118.43 -1.308 . . . . 2.75 110.834 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 12.6 t70 -118.31 136.49 53.67 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.691 -1.226 . . . . 1.57 107.691 160.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 14.3 mmmm -55.97 -55.66 30.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 118.597 0.635 . . . . 2.93 111.681 -174.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -32.49 64.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.435 -0.348 . . . . 3.44 110.86 -174.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -58.18 -53.44 58.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.501 -0.555 . . . . 1.46 109.501 175.442 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.6 -33.95 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.124 0.488 . . . . 0.69 110.593 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 46.3 mt-10 -67.97 -51.68 44.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.764 -0.653 . . . . 2.15 110.127 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 57.5 mm-40 -60.42 -40.83 92.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.847 -0.615 . . . . 2.05 110.96 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.39 93.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.793 -0.64 . . . . 0.51 110.707 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 58.4 ttp180 -67.25 -36.85 82.46 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.475 -0.329 . . . . 2.96 110.863 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 99.7 mttt -53.85 -40.53 66.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.529 . . . . 1.88 110.39 177.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.6 mmm -75.63 -54.2 7.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.621 -0.718 . . . . 1.68 110.702 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.24 86.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.638 0.607 . . . . 0.49 112.638 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -62.28 -46.67 87.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.835 -0.802 . . . . 2.41 108.835 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.07 -29.41 68.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.528 -0.76 . . . . 3.63 110.831 176.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.43 1.66 40.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.039 -0.528 . . . . 0.66 112.03 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.09 40.01 12.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.96 0.886 . . . . 2.18 110.203 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.5 HD12 HG23 ' A' ' 118' ' ' ILE . 65.9 mt -107.31 136.0 47.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.764 -0.653 . . . . 0.59 110.126 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.411 HD12 ' CE1' ' A' ' 24' ' ' PHE . 61.9 mt -78.38 104.32 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.74 -0.467 . . . . 0.53 109.74 177.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.533 ' HA ' HG13 ' A' ' 25' ' ' VAL . 52.7 tp -84.15 121.61 27.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 1.14 110.752 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.4 mt -118.47 102.19 12.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.066 0.46 . . . . 0.94 110.067 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -85.04 110.68 19.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.041 -0.527 . . . . 1.17 111.299 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 61' ' ' ALA . 15.3 m -132.6 145.13 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.755 -0.657 . . . . 1.38 109.652 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.45 95.79 0.45 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 119.72 -1.228 . . . . 1.24 112.654 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.486 ' OD1' ' HB2' ' A' ' 56' ' ' GLU . 21.8 t70 151.1 152.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.398 1.479 . . . . 1.98 108.858 175.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.29 -43.24 95.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.984 0.421 . . . . 2.21 110.948 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 24.4 mm-40 -67.4 -39.78 85.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.035 -0.53 . . . . 2.04 110.07 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HG2' ' HB3' ' A' ' 54' ' ' ASP . 49.7 mm-40 -64.98 -32.77 74.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 2.16 110.838 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 26' ' ' LEU . 60.9 tp -60.0 -43.23 95.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.378 -0.601 . . . . 0.83 109.378 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -62.64 -22.99 66.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.821 -0.627 . . . . 2.26 111.758 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 8.4 mmpt? -84.2 -36.01 23.09 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.126 -0.488 . . . . 2.35 110.195 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -70.64 -39.26 73.76 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.585 -0.524 . . . . 0.47 109.585 174.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 58' ' ' LEU . 87.0 mt -59.33 -50.69 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.26 -0.882 . . . . 0.83 110.607 176.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -65.11 -34.73 79.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 2.76 110.742 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 68' ' ' ILE . 89.1 tttt -66.06 -45.76 80.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 2.11 110.217 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.8 84.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.38 110.587 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.706 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 14.1 t70 -58.91 -39.08 80.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.702 -0.681 . . . . 1.36 110.784 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 30.7 t70 -67.33 -48.82 66.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.582 . . . . 1.68 111.039 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 64' ' ' LYS . 75.3 mt -65.0 -32.5 58.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.239 -0.437 . . . . 0.51 110.547 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -52.2 50.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 0.53 111.193 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 68.1 mttm -59.79 -27.48 66.6 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 112.468 0.544 . . . . 1.5 112.468 -175.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 67.7 mttm . . . . . 0 C--N 1.318 -0.765 0 CA-C-O 121.095 0.474 . . . . 2.71 110.026 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 110.232 -0.284 . . . . 0.71 110.232 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.476 ' HG2' ' HB2' ' A' ' 102' ' ' GLU . 35.9 mtmm -118.95 143.54 46.97 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.805 -0.442 . . . . 1.67 109.805 176.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.574 ' HB ' HG23 ' A' ' 103' ' ' VAL . 74.7 mt -130.98 142.41 43.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.22 -0.446 . . . . 0.49 110.111 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -108.65 123.36 48.85 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.77 -0.826 . . . . 1.4 108.77 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.0 mt -110.41 99.89 9.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.062 0.458 . . . . 0.38 110.022 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.782 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -93.17 136.37 33.5 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.275 -1.009 . . . . 1.61 108.275 178.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -163.22 164.33 25.13 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.035 0.445 . . . . 1.17 111.683 -178.772 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -93.76 101.37 13.48 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.542 -1.281 . . . . 2.04 107.542 167.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.558 ' HB3' HD13 ' A' ' 83' ' ' LEU . 51.9 tttp -174.42 145.07 0.97 Allowed Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.07 -0.345 . . . . 2.02 110.07 -177.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.02 118.52 5.59 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.867 1.712 . . . . 0.85 110.157 166.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.1 m -111.44 130.71 64.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.281 0.562 . . . . 1.17 111.529 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 m -100.24 154.85 36.99 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 1.44 110.279 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 81.9 Cg_exo -47.56 -51.36 9.79 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.733 2.289 . . . . 1.14 112.796 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.49 -36.05 75.29 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.335 -0.393 . . . . 2.43 111.013 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.18 -38.94 93.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 3.78 110.543 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HB2' HG22 ' A' ' 105' ' ' VAL . 31.4 tt0 -66.3 -45.74 79.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.521 . . . . 1.46 110.29 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 28.9 mmmt -73.32 -17.86 61.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 3.25 110.182 -178.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -71.48 -45.82 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.812 -0.631 . . . . 2.44 109.969 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.16 -30.67 60.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.629 -0.714 . . . . 1.14 109.589 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -33.15 75.15 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.381 -0.827 . . . . 2.2 109.306 174.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -79.85 -28.1 40.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.222 -0.445 . . . . 2.87 110.72 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -70.06 -39.61 75.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 3.64 111.039 -177.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -119.99 138.43 53.49 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.359 -0.608 . . . . 0.6 109.359 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -77.94 96.92 5.15 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 118.827 -1.149 . . . . 1.77 108.287 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.08 149.92 0.93 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.56 -1.2 . . . . 0.5 108.945 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.476 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 63.4 mm-40 -81.05 89.58 5.95 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.031 -0.729 . . . . 1.77 109.031 173.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.574 HG23 ' HB ' ' A' ' 79' ' ' ILE . 3.5 p -90.67 144.93 8.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.708 -0.678 . . . . 1.05 110.463 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 106' ' ' ARG . 17.5 ptp180 -121.39 115.5 23.02 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.129 -0.941 . . . . 2.71 109.005 173.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 92' ' ' GLU . 14.4 m -91.48 125.69 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 109.007 -0.738 . . . . 0.71 109.007 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 104' ' ' ARG . 78.6 mmt-85 -127.98 143.16 51.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.449 . . . . 2.63 111.045 -174.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.1 t -119.56 139.12 52.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.6 -0.727 . . . . 0.64 109.93 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 m -125.38 167.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.01 0.433 . . . . 1.34 111.04 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.2 p -123.53 0.36 8.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.796 -0.638 . . . . 1.22 110.062 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.1 p -165.48 153.74 10.23 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 115.835 -0.621 . . . . 0.93 111.038 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -47.21 -49.75 12.32 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.333 2.689 . . . . 0.6 114.554 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.551 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 27.3 t70 -62.29 -30.22 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.677 0.621 . . . . 2.04 112.677 -169.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.0 -42.32 98.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.798 0.332 . . . . 2.21 110.579 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.9 86.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.48 110.391 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 8.9 mtpm? -60.87 -36.48 79.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.599 -0.728 . . . . 1.53 110.53 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -66.83 -53.06 36.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.636 . . . . 4.21 110.832 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -56.87 -39.02 73.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.897 -0.592 . . . . 0.99 111.1 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.5 HG23 HD12 ' A' ' 47' ' ' LEU . 82.4 mt -61.67 -45.35 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.57 111.1 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -67.47 -45.26 76.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.556 -0.293 . . . . 2.66 110.978 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -64.67 -27.11 68.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.943 0.401 . . . . 2.48 111.296 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -80.7 -47.87 13.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 1.43 111.197 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 p -66.09 -32.64 74.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.319 -0.4 . . . . 1.31 110.88 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 121.164 0.507 . . . . 2.53 110.789 176.877 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.4 ' N ' ' SD ' ' A' ' 21' ' ' MET . 1.7 pmm? . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.883 -0.414 . . . . 2.17 109.883 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 m -76.7 123.52 26.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.75 0.31 . . . . 0.82 110.6 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 mt -104.65 128.05 52.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.459 . . . . 0.39 110.631 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -117.81 147.45 43.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.112 -0.494 . . . . 1.3 110.063 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.497 HG13 ' HA ' ' A' ' 49' ' ' LEU . 3.7 p -134.6 130.4 53.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.893 0.854 . . . . 1.08 110.79 172.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 58' ' ' LEU . 11.0 mp -115.23 159.11 21.37 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.477 -1.238 . . . . 1.18 109.051 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 13.3 tt -150.76 124.68 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 121.021 -0.271 . . . . 0.55 110.35 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' A' ' 58' ' ' LEU . 5.7 tp -108.47 76.69 1.04 Allowed 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.318 -0.993 . . . . 1.24 108.318 173.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -150.95 145.66 25.74 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.375 -1.284 . . . . 1.27 108.602 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -126.39 88.19 2.79 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.433 -1.307 . . . . 2.75 110.811 168.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -119.34 129.5 54.88 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.627 -1.249 . . . . 1.57 107.627 160.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -66.21 -28.43 68.73 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 111.988 0.366 . . . . 2.93 111.988 -172.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -90.49 -35.81 14.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.871 0.367 . . . . 3.44 110.722 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.17 -46.3 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 1.46 110.03 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.36 -39.98 71.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.145 -0.48 . . . . 0.69 110.529 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 27.0 mm-40 -55.35 -62.1 1.9 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.239 -0.437 . . . . 2.15 110.939 174.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 38.2 mm-40 -57.95 -38.78 76.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 2.05 112.015 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.46 98.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.51 110.358 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 41.4 ttm180 -72.49 -27.43 62.26 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.787 -0.365 . . . . 2.96 110.627 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 69.7 mmtt -57.14 -40.93 78.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.198 0.523 . . . . 1.88 109.929 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.4 mmt -78.58 -48.5 15.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.629 -0.714 . . . . 1.68 111.068 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.26 77.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.002 0.371 . . . . 0.49 112.002 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.625 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -61.71 -51.51 68.11 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.243 -0.651 . . . . 2.41 109.243 178.659 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 1.4 mptm? -71.59 -24.05 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.723 -0.671 . . . . 3.63 111.078 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -81.79 -5.46 58.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.963 0.411 . . . . 0.66 110.743 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.2 m120 62.68 31.8 16.52 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.274 -0.875 . . . . 2.18 111.026 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 45' ' ' ALA . 62.3 mt -86.66 138.34 31.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.78 -0.645 . . . . 0.59 109.886 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.7 mt -74.36 97.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.375 -0.602 . . . . 0.53 109.375 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HA ' HG13 ' A' ' 25' ' ' VAL . 58.0 tp -86.18 125.14 33.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.702 -0.681 . . . . 1.14 110.891 -177.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mt -118.61 99.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.282 -0.636 . . . . 0.94 109.282 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 m -84.83 120.26 26.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.964 -0.562 . . . . 1.17 110.516 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.415 HG23 HD12 ' A' ' 28' ' ' LEU . 3.7 m -135.73 164.97 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.748 -0.205 . . . . 1.38 110.707 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -148.82 96.67 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.242 -0.98 . . . . 1.24 112.572 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.9 t70 143.22 153.87 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.673 1.589 . . . . 1.98 108.321 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -62.78 -44.95 94.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.891 0.376 . . . . 2.21 110.879 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 75.7 mm-40 -70.14 -28.89 65.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.028 -0.533 . . . . 2.04 109.982 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -71.16 -33.78 70.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.53 . . . . 2.16 110.679 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.533 ' HB2' HD13 ' A' ' 28' ' ' LEU . 35.9 tp -65.91 -30.55 71.16 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.383 -0.599 . . . . 0.83 109.383 174.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.22 -18.82 64.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.365 0.602 . . . . 2.26 111.126 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 26.1 mmtp -84.37 -33.86 23.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.574 -0.739 . . . . 2.35 109.594 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.78 -43.51 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.789 . . . . 0.47 110.702 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.02 -50.1 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.83 110.745 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -65.93 -30.54 71.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.46 -0.336 . . . . 2.76 110.455 179.664 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HB2' ' NZ ' ' A' ' 64' ' ' LYS . 4.2 ttmp? -67.8 -50.77 55.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 2.11 110.243 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.0 93.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.38 110.472 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.34 -46.67 76.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.661 -0.7 . . . . 1.36 110.809 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.06 -48.47 68.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.709 -0.678 . . . . 1.68 111.456 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 76.6 mt -61.99 -38.07 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.034 0.445 . . . . 0.51 110.682 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.54 -57.2 10.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.53 110.711 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -63.88 -24.88 67.91 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.234 -0.439 . . . . 1.5 111.415 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 68' ' ' ILE . 59.0 tttm . . . . . 0 N--CA 1.444 -0.726 0 N-CA-C 109.355 -0.609 . . . . 2.71 109.355 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.511 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 121.037 0.446 . . . . 0.71 110.34 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . 43.4 mttp -98.42 122.6 41.81 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.109 -0.496 . . . . 1.67 110.189 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 49.0 mt -124.98 134.46 66.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.991 -0.55 . . . . 0.49 109.932 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.0 tp -113.25 112.32 23.53 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.959 -0.385 . . . . 1.4 109.959 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.555 HG22 HD22 ' A' ' 83' ' ' LEU . 81.2 mt -101.0 112.78 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.743 -0.383 . . . . 0.38 110.076 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 91.9 mt -93.15 112.07 23.9 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.879 -0.415 . . . . 1.61 109.879 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.722 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.6 pt? -138.55 139.59 38.74 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.353 -0.24 . . . . 1.17 110.353 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 7.2 pt-20 -86.32 99.62 11.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 118.916 -1.114 . . . . 2.04 108.678 170.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 89.2 mttt -170.18 146.03 2.45 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 114.104 -1.407 . . . . 2.02 108.333 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.21 118.62 5.79 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.854 1.703 . . . . 0.85 110.741 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.5 m -114.71 135.32 54.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.284 0.564 . . . . 1.17 111.904 -172.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 m -101.06 157.53 33.49 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.604 -0.726 . . . . 1.44 110.012 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -49.18 -46.55 25.29 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.488 2.125 . . . . 1.14 112.369 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 42.8 tt0 -62.19 -35.23 78.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.029 -0.532 . . . . 2.43 110.973 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.93 -40.49 95.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.964 -0.384 . . . . 3.78 109.964 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.26 -45.32 93.7 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.965 -0.561 . . . . 1.46 110.184 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 42.6 mmtm -71.84 -18.14 62.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.629 -0.714 . . . . 3.25 111.773 -176.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 30.4 mtpp -76.47 -43.32 40.28 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.976 -0.379 . . . . 2.44 109.976 174.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.16 -35.03 68.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.37 0.605 . . . . 1.14 109.522 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.431 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 39.3 tt0 -70.17 -17.19 63.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.027 -0.988 . . . . 2.2 109.66 176.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.7 -40.82 24.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 2.87 110.523 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -64.76 -42.21 95.32 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.198 -0.456 . . . . 3.64 110.679 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.08 119.37 36.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.534 -0.543 . . . . 0.6 109.534 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -72.1 103.09 3.18 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.758 0.79 . . . . 1.77 108.894 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -172.59 -167.95 0.48 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.085 -1.416 . . . . 0.5 109.303 -172.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -124.63 88.03 2.82 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.668 0.746 . . . . 1.77 109.049 172.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 7.4 p -89.85 138.29 19.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.255 -0.884 . . . . 1.05 110.445 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -104.84 100.46 10.08 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.893 -0.78 . . . . 2.71 108.893 173.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.38 124.12 32.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 119.798 -0.761 . . . . 0.71 109.21 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -125.06 135.07 52.37 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.29 -0.414 . . . . 2.63 110.964 -174.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 8.9 t -84.48 126.46 33.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.299 0.571 . . . . 0.64 110.332 177.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.58 ' O ' ' HB3' ' A' ' 84' ' ' GLU . 4.9 p -124.44 116.82 48.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.291 0.567 . . . . 1.34 111.562 -177.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.5 t -126.12 6.87 7.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.265 0.555 . . . . 1.22 110.235 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.4 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 50.7 m -154.2 135.13 8.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 0.93 110.031 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.66 -38.24 84.27 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.512 2.808 . . . . 0.6 113.479 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.423 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 38.5 m-20 -70.04 -40.72 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.642 0.258 . . . . 2.04 110.946 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 32.9 mm-40 -62.61 -40.39 96.8 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.787 -0.449 . . . . 2.21 109.787 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' HB2' ' CG2' ' A' ' 108' ' ' VAL . . . -58.24 -48.07 81.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.838 -0.619 . . . . 0.48 110.667 177.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.423 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 57.3 mtmt -61.64 -32.44 72.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 1.53 110.93 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.438 ' HD3' ' C ' ' A' ' 116' ' ' ARG . 1.9 tmt_? -68.32 -43.7 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 4.21 109.882 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -61.96 -44.02 97.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.99 110.745 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 114' ' ' ALA . 93.0 mt -61.5 -41.92 91.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.761 -0.654 . . . . 0.57 111.106 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -63.88 -43.17 96.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.486 -0.325 . . . . 2.66 110.356 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -60.81 -43.41 98.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.141 0.496 . . . . 2.48 110.82 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 78' ' ' LYS . 77.6 t80 -67.25 -44.57 79.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.581 -0.736 . . . . 1.43 111.53 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.0 m -71.03 -39.51 72.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.056 -0.52 . . . . 1.31 110.493 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.742 -0.663 . . . . 2.53 110.238 -178.712 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.861 -0.422 . . . . 2.17 109.861 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.607 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -64.78 121.95 15.76 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.814 -0.354 . . . . 0.82 110.422 177.448 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 63.5 mt -111.41 105.6 14.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.3 0.572 . . . . 0.39 110.882 -176.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 22' ' ' THR . 58.3 m-85 -103.99 143.97 32.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.657 -0.701 . . . . 1.3 109.608 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.48 HG13 ' HA ' ' A' ' 49' ' ' LEU . 2.7 p -131.57 116.58 32.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.657 0.742 . . . . 1.08 110.531 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD23 HD12 ' A' ' 58' ' ' LEU . 6.6 mp -102.92 156.92 17.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.945 -1.025 . . . . 1.18 108.424 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.8 tt -150.25 124.28 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 121.019 -0.272 . . . . 0.55 111.192 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -114.67 79.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.982 -0.747 . . . . 1.24 108.982 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 t -149.56 144.05 25.98 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.903 -1.044 . . . . 1.27 108.483 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -124.86 88.17 2.84 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.576 -1.249 . . . . 2.75 110.773 168.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.491 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 28.5 t70 -119.36 137.39 53.75 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.876 -1.056 . . . . 1.57 108.246 162.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.57 -35.33 80.14 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 111.859 0.318 . . . . 2.93 111.859 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -85.52 -44.01 13.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.682 0.277 . . . . 3.44 110.635 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 6.3 tt -55.65 -48.51 74.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.948 -0.569 . . . . 1.46 110.434 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.58 -42.62 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.69 110.869 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 43.7 mm-40 -61.37 -56.89 15.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 2.15 111.123 176.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 43.3 mm-40 -59.94 -38.17 81.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.234 -0.439 . . . . 2.05 111.53 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.95 87.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.38 . . . . 0.51 110.744 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 15.0 ttm-85 -62.42 -45.07 94.78 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.378 -0.374 . . . . 2.96 110.659 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 98.1 mttt -53.17 -36.13 60.57 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.367 0.417 . . . . 1.88 111.698 -175.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 96.5 mmm -70.1 -53.32 17.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.528 -0.305 . . . . 1.68 110.964 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.58 64.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.706 0.289 . . . . 0.49 111.237 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -63.18 -53.48 52.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.733 -0.839 . . . . 2.41 108.733 177.08 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 44' ' ' LYS . 7.8 tmtm? -66.26 -37.52 85.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.956 -1.02 . . . . 3.63 109.946 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.97 -8.37 56.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.66 111.937 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.9 m120 61.91 43.84 8.89 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.693 -0.685 . . . . 2.18 111.497 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.8 mt -95.11 -179.32 4.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.946 -0.57 . . . . 0.59 109.929 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.8 mt -106.85 96.04 4.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.635 -0.506 . . . . 0.53 109.635 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.48 ' HA ' HG13 ' A' ' 25' ' ' VAL . 51.4 tp -93.63 123.81 37.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.751 -0.659 . . . . 1.14 110.935 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.7 102.55 14.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.298 -0.631 . . . . 0.94 109.298 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -77.05 99.74 5.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.27 0.557 . . . . 1.17 110.871 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -111.43 -170.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.683 . . . . 1.38 110.833 -178.533 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 54' ' ' ASP . . . -159.56 103.98 0.24 Allowed Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.948 -0.644 . . . . 1.24 112.111 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' ' 53' ' ' GLY . 24.5 t70 100.22 156.41 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.097 1.359 . . . . 1.98 110.815 174.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 42.6 mt-10 -56.72 -34.86 67.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.714 0.292 . . . . 2.21 111.656 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.92 -39.71 79.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.878 0.37 . . . . 2.04 110.55 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -67.75 -30.77 70.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 2.16 110.075 175.295 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.554 HD12 HD23 ' A' ' 26' ' ' LEU . 23.2 tp -60.95 -41.54 96.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.557 -0.747 . . . . 0.83 110.417 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 33.9 mtmt -55.69 -37.79 68.79 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.767 0.794 . . . . 2.26 110.893 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 22.0 mtpp -76.75 -42.96 39.05 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.434 -1.257 . . . . 2.35 110.987 -176.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -63.47 -37.31 86.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.147 0.499 . . . . 0.47 109.879 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.689 HG23 ' HB2' ' A' ' 99' ' ' ALA . 20.3 mt -56.36 -49.74 75.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.083 -0.962 . . . . 0.83 111.634 177.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -67.55 -38.51 84.24 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.958 -0.297 . . . . 2.76 110.645 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 55.4 mtmt -64.76 -38.0 89.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.785 0.326 . . . . 2.11 110.588 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.52 69.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.005 0.431 . . . . 0.38 110.48 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -33.0 72.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.575 -0.739 . . . . 1.36 111.019 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 6.7 m-20 -67.06 -60.29 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.424 -0.353 . . . . 1.68 111.091 174.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.36 -37.83 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.22 -0.445 . . . . 0.51 111.345 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.506 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -55.58 -48.56 74.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.297 0.57 . . . . 0.53 111.355 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -86.32 -10.33 54.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.293 -0.867 . . . . 1.5 112.356 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 68.3 mttm . . . . . 0 C--N 1.315 -0.933 0 N-CA-C 109.414 -0.587 . . . . 2.71 109.414 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.739 0.304 . . . . 0.71 110.619 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -126.43 136.44 52.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.237 -0.438 . . . . 1.67 110.102 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.42 ' HB ' HG22 ' A' ' 103' ' ' VAL . 68.3 mt -122.09 120.62 61.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.989 -0.55 . . . . 0.49 110.197 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.547 HD22 HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -95.56 124.59 39.67 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.627 -0.879 . . . . 1.4 108.627 175.833 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.66 ' HB ' HG12 ' A' ' 105' ' ' VAL . 72.9 mt -116.09 101.26 11.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 120.937 0.399 . . . . 0.38 110.319 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.547 HD12 HD22 ' A' ' 80' ' ' LEU . 8.7 mp -81.57 128.14 33.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.997 -0.547 . . . . 1.61 109.827 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.2 pt? -152.59 149.78 28.82 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 110.04 -0.356 . . . . 1.17 110.04 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -104.48 101.08 10.76 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 121.987 0.899 . . . . 2.04 110.012 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HD3' HD12 ' A' ' 83' ' ' LEU . 21.6 ptmt -172.5 165.23 3.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 114.342 -1.299 . . . . 2.02 108.669 172.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.28 123.52 10.66 Favored 'Trans proline' 0 CA--C 1.516 -0.401 0 C-N-CA 122.319 2.013 . . . . 0.85 111.773 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.434 HG11 HG23 ' A' ' 105' ' ' VAL . 84.3 t -132.47 119.03 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.593 -0.731 . . . . 1.17 111.27 -176.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 p -99.89 166.36 12.92 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.434 -0.58 . . . . 1.44 109.434 173.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -46.64 -41.54 24.12 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.667 2.245 . . . . 1.14 113.322 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 31.7 tt0 -56.86 -36.07 69.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.345 -0.389 . . . . 2.43 111.078 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -69.9 -41.23 74.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.427 -0.351 . . . . 3.78 111.275 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.05 -35.52 71.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.332 0.587 . . . . 1.46 110.189 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.554 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 60.9 tttp -69.24 -34.39 74.73 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.384 -0.826 . . . . 3.25 110.155 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 62.4 mttm -63.08 -42.67 99.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.136 0.493 . . . . 2.44 109.89 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.474 ' HG ' HG11 ' A' ' 105' ' ' VAL . 3.9 mm? -72.03 -36.23 69.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.823 -0.626 . . . . 1.14 110.739 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -64.11 -25.92 68.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.954 0.407 . . . . 2.2 110.086 172.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 61.7 mtpt -74.4 -40.5 61.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 2.87 111.556 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -71.86 -51.48 22.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.864 0.364 . . . . 3.64 111.049 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.689 ' HB2' HG23 ' A' ' 62' ' ' ILE . . . -94.88 132.54 39.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.294 -0.412 . . . . 0.6 110.448 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -90.29 95.61 10.27 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 118.858 -1.137 . . . . 1.77 109.11 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.12 -177.81 0.62 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.385 -1.734 . . . . 0.5 107.67 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -87.78 91.49 8.77 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.667 -0.813 . . . . 1.77 109.417 170.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.454 HG11 ' HB3' ' A' ' 95' ' ' LEU . 7.4 t -82.27 134.25 27.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.367 -0.833 . . . . 1.05 111.308 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.477 ' O ' HD23 ' A' ' 80' ' ' LEU . 57.5 mtm180 -127.16 105.11 8.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.609 -0.723 . . . . 2.71 109.274 172.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.66 HG12 ' HB ' ' A' ' 81' ' ' ILE . 27.6 m -88.55 111.11 22.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-O 121.588 0.708 . . . . 0.71 110.2 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.637 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 6.4 mmp_? -104.33 119.22 38.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.913 -0.585 . . . . 2.63 110.411 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 6.4 t -77.13 99.4 5.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.848 0.832 . . . . 0.64 109.948 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -94.41 145.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.71 -0.677 . . . . 1.34 110.605 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -127.85 -9.86 5.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.002 -0.545 . . . . 1.22 111.516 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -155.31 154.87 29.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 119.572 -0.252 . . . . 0.93 110.917 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 80.3 Cg_exo -45.78 -51.52 8.13 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.208 2.605 . . . . 0.6 113.344 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.94 -30.15 68.87 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.436 -0.347 . . . . 2.04 111.677 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -69.54 -41.26 76.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.916 0.388 . . . . 2.21 109.977 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.52 -46.19 91.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 0.48 110.505 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 46.6 mtpt -65.27 -30.73 71.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.584 -0.734 . . . . 1.53 110.923 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.449 ' NH2' ' HD3' ' A' ' 119' ' ' LYS . 6.6 tpm_? -60.65 -49.16 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 4.21 110.841 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -77.48 -38.06 49.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.968 -0.56 . . . . 0.99 111.651 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.12 -29.49 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.032 0.444 . . . . 0.57 110.657 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HD3' ' NH2' ' A' ' 116' ' ' ARG . 63.5 tttp -67.73 -52.56 36.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 2.66 111.106 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -19.26 63.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 2.48 111.02 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 34.3 t80 -71.5 -35.57 70.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.138 -0.483 . . . . 1.43 110.592 177.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 p -96.25 -9.09 31.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.876 -0.602 . . . . 1.31 111.025 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.138 -0.483 . . . . 2.53 110.817 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.56 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 53.1 ttp . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.272 -0.27 . . . . 2.17 110.272 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 m -102.96 139.64 38.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.811 0.339 . . . . 0.82 110.211 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.444 ' HB2' HD22 ' A' ' 47' ' ' LEU . 75.6 mt -109.44 125.23 52.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.093 -0.503 . . . . 0.39 110.448 -177.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 54.7 m-85 -115.81 147.51 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.194 -0.457 . . . . 1.3 110.461 -178.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 t -132.84 117.67 30.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.332 -0.395 . . . . 1.08 110.168 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.32 159.75 14.74 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.532 -1.285 . . . . 1.18 107.532 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.714 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 15.9 tt -150.32 122.95 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.07 -0.652 . . . . 0.55 111.828 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 58' ' ' LEU . 2.5 mp -110.41 80.08 1.27 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.666 -0.864 . . . . 1.24 108.666 167.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 67.1 m -149.22 144.41 26.53 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.263 -1.335 . . . . 1.27 108.805 175.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -144.75 90.41 2.07 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 118.732 -1.187 . . . . 2.75 112.335 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.573 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 9.6 t70 -118.06 142.44 47.39 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.721 -1.585 . . . . 1.57 106.721 155.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 13.4 mptt -58.59 -46.74 86.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 119.116 0.871 . . . . 2.93 110.871 -175.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -70.11 -42.51 72.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 3.44 110.33 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 46.2 tp -52.0 -52.0 53.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.405 -0.816 . . . . 1.46 111.152 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.26 -35.5 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.908 -0.587 . . . . 0.69 110.93 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 49.1 mt-10 -61.38 -62.44 1.83 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.575 -0.284 . . . . 2.15 110.304 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.456 ' HB3' ' HD3' ' A' ' 115' ' ' LYS . 44.7 mt-10 -57.97 -33.07 68.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 2.05 111.192 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.57 -55.64 14.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 0.51 110.957 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 41.5 ttm180 -65.75 -41.43 92.16 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.629 -0.428 . . . . 2.96 111.009 -177.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 66.2 mttm -48.48 -40.26 25.87 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.211 0.319 . . . . 1.88 111.65 -177.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.544 ' SD ' ' HD3' ' A' ' 119' ' ' LYS . 16.8 mmt -70.32 -47.76 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.331 -0.395 . . . . 1.68 111.065 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -71.22 -26.98 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.028 0.442 . . . . 0.49 110.908 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.71 -40.51 88.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.913 0.863 . . . . 2.41 109.032 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -78.63 -34.85 46.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.433 -1.258 . . . . 3.63 110.828 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB1' ' OG ' ' A' ' 122' ' ' SER . . . -83.5 -5.33 59.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.713 -0.676 . . . . 0.66 111.769 -176.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 61.42 46.79 7.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.514 -0.766 . . . . 2.18 111.296 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 35.0 mt -101.3 155.21 18.17 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.711 -0.478 . . . . 0.59 109.711 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.6 mt -86.45 89.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.483 0.658 . . . . 0.53 109.886 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 48.7 tp -95.15 120.91 36.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.016 -0.993 . . . . 1.14 110.271 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.9 mt -111.03 103.37 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.628 -0.508 . . . . 0.94 109.628 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.434 ' HA ' ' CG2' ' A' ' 27' ' ' ILE . 3.3 m -83.0 108.95 16.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 1.17 110.64 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -123.24 -177.38 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.388 -0.597 . . . . 1.38 109.388 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -163.09 93.26 0.11 Allowed Glycine 0 N--CA 1.44 -1.059 0 C-N-CA 120.122 -1.037 . . . . 1.24 111.972 171.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 32.5 t70 164.83 150.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 124.245 1.018 . . . . 1.98 108.592 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -65.14 -42.34 93.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.191 0.441 . . . . 2.21 112.191 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 28.8 mm-40 -80.86 -39.2 26.87 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.157 -0.474 . . . . 2.04 110.11 -176.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 54' ' ' ASP . 41.3 tt0 -59.89 -34.08 72.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 2.16 110.643 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 28' ' ' LEU . 63.4 tp -59.54 -42.11 91.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.83 110.371 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -66.26 -20.06 66.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.604 . . . . 2.26 110.919 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 5.5 mmmm -86.58 -47.05 9.56 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.321 -0.854 . . . . 2.35 109.95 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.42 99.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.482 -0.781 . . . . 0.47 110.456 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.6 mt -58.4 -45.53 89.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.405 -0.816 . . . . 0.83 111.082 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -67.77 -32.29 72.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 2.76 110.414 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.606 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.7 tttp -61.39 -48.7 80.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 2.11 110.019 173.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.27 92.17 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.073 -0.512 . . . . 0.38 110.542 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -54.74 -49.46 70.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.315 -0.857 . . . . 1.36 110.505 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 29.7 t70 -63.6 -48.18 78.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.521 -0.763 . . . . 1.68 111.658 -178.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 64' ' ' LYS . 82.8 mt -53.3 -49.23 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.911 0.386 . . . . 0.51 111.526 -175.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -75.53 -48.7 21.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.53 111.663 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.03 -28.81 69.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.766 0.654 . . . . 1.5 112.766 -170.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 64.0 mtpt . . . . . 0 C--N 1.32 -0.691 0 C-N-CA 120.612 -0.435 . . . . 2.71 110.468 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.83 -0.433 . . . . 0.71 109.83 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.56 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 54.7 mtmt -124.66 136.79 54.21 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.894 -0.41 . . . . 1.67 109.894 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.1 mt -133.18 136.61 54.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.074 -0.512 . . . . 0.49 111.096 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.5 mt -105.87 142.2 35.99 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 109.9 -0.407 . . . . 1.4 109.9 171.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.438 HD13 HG12 ' A' ' 105' ' ' VAL . 4.5 mp -114.59 97.72 6.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.2 -1.037 . . . . 0.38 108.2 163.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.714 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.2 tm? -75.77 111.02 10.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.865 -1.061 . . . . 1.61 108.834 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.8 158.13 43.91 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.84 -0.537 . . . . 1.17 111.959 -175.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.65 101.77 11.39 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.125 -1.065 . . . . 2.04 108.125 173.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -175.81 148.38 0.97 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.821 -1.081 . . . . 2.02 108.527 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -67.27 118.76 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.703 1.602 . . . . 0.85 110.68 170.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.43 138.94 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.146 0.498 . . . . 1.17 111.626 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -100.89 150.28 36.9 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.874 -0.603 . . . . 1.44 110.203 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.29 -45.57 33.18 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.399 2.066 . . . . 1.14 112.362 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -60.42 -40.57 91.49 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.183 -0.462 . . . . 2.43 110.232 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -60.81 -36.62 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 3.78 110.896 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.7 -32.76 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.08 0.467 . . . . 1.46 111.126 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -73.69 -21.94 60.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.379 -0.601 . . . . 3.25 109.379 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -68.1 -33.6 74.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.878 -0.601 . . . . 2.44 110.138 174.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.423 ' CB ' HG11 ' A' ' 103' ' ' VAL . 3.3 mm? -75.27 -33.84 61.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.941 -0.392 . . . . 1.14 109.941 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.461 ' HG2' ' H ' ' A' ' 103' ' ' VAL . 60.9 mt-30 -66.09 -25.45 67.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.441 0.639 . . . . 2.2 109.51 171.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -76.15 -29.42 57.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 2.87 111.118 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -73.48 -50.53 21.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.851 0.358 . . . . 3.64 110.957 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.32 129.36 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.058 -0.519 . . . . 0.6 110.126 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -83.66 101.43 11.51 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.754 -0.832 . . . . 1.77 108.754 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -175.62 -169.62 0.36 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.148 -1.387 . . . . 0.5 107.278 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -97.33 88.98 4.58 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 119.56 -0.856 . . . . 1.77 108.919 171.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.461 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -84.42 123.85 39.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.77 -1.105 . . . . 1.05 110.639 -178.728 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -120.61 108.79 14.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.462 -0.79 . . . . 2.71 109.087 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.438 HG12 HD13 ' A' ' 81' ' ' ILE . 28.3 m -81.1 133.85 28.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-O 120.987 0.422 . . . . 0.71 109.916 -178.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.515 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 11.9 mmm180 -113.89 112.79 23.92 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.868 -0.333 . . . . 2.63 110.157 -175.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.3 t -84.14 134.78 34.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.119 -0.491 . . . . 0.64 109.961 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.44 157.01 42.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.208 0.527 . . . . 1.34 111.396 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.7 p -128.4 -13.06 4.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.355 -0.838 . . . . 1.22 110.37 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 56.4 m -153.72 148.25 19.4 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.014 -0.539 . . . . 0.93 110.22 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.567 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 74.9 Cg_exo -52.8 -29.59 43.39 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 124.389 3.393 . . . . 0.6 114.27 -173.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.518 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 6.2 m-20 -63.82 -42.82 97.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.442 -0.344 . . . . 2.04 111.309 -176.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 13.4 mm-40 -77.38 -30.29 53.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.441 -0.345 . . . . 2.21 110.163 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.27 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.48 110.587 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 64.5 pttt -67.92 -26.79 66.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.035 -0.53 . . . . 1.53 110.307 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 113' ' ' GLU . 72.9 ttt180 -60.42 -57.45 12.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.669 -0.696 . . . . 4.21 111.417 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.515 ' CD1' ' HB3' ' A' ' 106' ' ' ARG . 9.3 m95 -57.78 -38.56 75.66 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.449 -0.341 . . . . 0.99 111.194 -174.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.69 -42.63 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.57 111.643 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.544 ' HD3' ' SD ' ' A' ' 41' ' ' MET . 9.3 mtmp? -70.42 -42.74 71.2 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.97 -0.292 . . . . 2.66 111.169 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -67.9 -28.96 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.735 0.303 . . . . 2.48 110.669 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -74.97 -30.96 61.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.86 -0.609 . . . . 1.43 110.891 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.479 ' OG ' ' HB1' ' A' ' 45' ' ' ALA . 33.6 t -79.32 -38.51 35.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.978 -0.555 . . . . 1.31 110.386 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.182 -0.463 . . . . 2.53 110.321 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.22 -0.289 . . . . 2.17 110.22 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 m -89.12 138.92 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.987 -0.285 . . . . 0.82 110.27 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 58.2 mt -108.63 112.22 24.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.271 -0.422 . . . . 0.39 110.398 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' HB2' HG12 ' A' ' 79' ' ' ILE . 48.9 m-85 -105.88 148.75 27.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 1.3 109.532 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -137.19 132.84 46.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-O 121.635 0.731 . . . . 1.08 110.988 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 HD12 ' A' ' 58' ' ' LEU . 9.4 mp -116.53 158.6 23.39 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.734 -1.121 . . . . 1.18 109.106 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.4 tt -150.54 111.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.466 -0.333 . . . . 0.55 110.233 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.592 HD13 ' HB2' ' A' ' 58' ' ' LEU . 10.2 tp -98.88 78.31 2.29 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.828 0.823 . . . . 1.24 109.028 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -150.71 144.87 25.44 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.639 -1.164 . . . . 1.27 108.193 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.45 ' HA ' HD11 ' A' ' 35' ' ' ILE . 18.3 m120 -121.7 86.08 2.52 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 117.975 -1.49 . . . . 2.75 110.19 166.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 21.2 t70 -120.84 130.25 53.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.639 -1.164 . . . . 1.57 108.694 164.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 46.4 mttp -62.42 -29.64 70.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.604 0.594 . . . . 2.93 112.604 -176.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -84.53 -47.43 10.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.916 0.389 . . . . 3.44 110.66 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.587 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 18.0 tp -57.72 -50.04 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 1.46 111.478 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.45 HD11 ' HA ' ' A' ' 30' ' ' ASN . 63.6 mt -59.54 -39.86 80.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.363 -0.38 . . . . 0.69 111.327 -176.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 47.8 mm-40 -58.4 -56.92 15.9 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.969 -0.292 . . . . 2.15 110.996 177.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -62.09 -40.62 96.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.766 0.317 . . . . 2.05 111.125 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.74 94.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.51 110.686 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -67.27 -48.8 66.63 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 120.509 -0.476 . . . . 2.96 110.875 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 94.8 mttt -48.93 -47.87 43.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.152 0.501 . . . . 1.88 110.955 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 tpt -62.28 -43.05 99.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.535 -0.757 . . . . 1.68 111.958 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -85.66 -29.73 23.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.49 111.502 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.46 -44.86 95.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.946 -0.57 . . . . 2.41 109.976 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -11.47 57.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.846 -0.615 . . . . 3.63 111.343 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.38 2.06 54.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.936 0.398 . . . . 0.66 110.538 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.6 40.18 20.49 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.287 -0.87 . . . . 2.18 110.759 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.408 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 21.8 mt -95.98 156.68 16.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.932 -0.576 . . . . 0.59 109.662 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.9 mt -90.29 92.82 4.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.338 0.589 . . . . 0.53 109.512 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.1 tp -91.25 128.88 37.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 1.14 110.762 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.76 98.91 6.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.234 -0.654 . . . . 0.94 109.234 175.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -80.17 119.83 23.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.029 -0.532 . . . . 1.17 110.455 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.473 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 3.4 m -135.38 140.26 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.325 -0.398 . . . . 1.38 110.536 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -129.54 95.38 0.36 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 119.76 -1.21 . . . . 1.24 112.392 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 17.1 t70 152.83 145.63 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.121 1.368 . . . . 1.98 108.42 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -49.52 66.31 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.05 0.452 . . . . 2.21 111.493 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 11.4 mm-40 -67.77 -33.83 75.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.839 -0.619 . . . . 2.04 110.712 -175.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 22.7 mm-40 -64.21 -30.84 71.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 2.16 111.732 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.592 ' HB2' HD13 ' A' ' 28' ' ' LEU . 33.9 tp -63.61 -39.06 93.4 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.479 -0.563 . . . . 0.83 109.479 176.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -60.48 -30.44 69.69 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.445 0.641 . . . . 2.26 110.616 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 6.1 mmmm -76.66 -44.93 31.85 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.953 -1.021 . . . . 2.35 110.458 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.95 96.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 0.47 110.217 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -58.06 -47.85 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.37 -0.832 . . . . 0.83 110.805 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -71.32 -32.34 68.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.484 -0.326 . . . . 2.76 111.075 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -64.17 -44.78 91.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 2.11 109.979 176.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.41 99.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.38 110.232 175.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.76 -40.96 69.9 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.407 -0.815 . . . . 1.36 110.901 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.55 -49.91 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 1.68 111.457 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.54 -39.14 81.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.788 0.327 . . . . 0.51 111.003 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.6 -58.08 10.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.53 110.821 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -63.89 -31.9 73.24 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.21 -0.45 . . . . 1.5 111.419 -177.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.3 tttp . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.908 -0.587 . . . . 2.71 110.264 177.177 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 109.999 -0.371 . . . . 0.71 109.999 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -118.94 122.1 41.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.991 0.424 . . . . 1.67 109.87 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 46.2 mt -119.31 140.3 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.847 -0.615 . . . . 0.49 110.362 -176.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.04 115.24 28.04 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.858 -0.793 . . . . 1.4 108.858 173.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.1 mt -104.1 105.74 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.072 0.463 . . . . 0.38 110.883 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 106' ' ' ARG . 73.3 mt -88.37 143.48 26.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.015 -0.735 . . . . 1.61 109.015 173.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -167.28 166.81 14.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.377 -0.231 . . . . 1.17 110.377 177.706 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 29.0 mt-10 -102.75 102.19 12.33 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.2 -1.037 . . . . 2.04 108.2 169.355 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -174.6 132.24 0.49 Allowed Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.156 -0.475 . . . . 2.02 110.125 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.35 117.7 4.72 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.562 1.508 . . . . 0.85 109.852 168.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.6 m -121.15 128.07 75.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.189 0.519 . . . . 1.17 112.165 -173.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 m -91.92 156.93 42.05 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.837 -0.619 . . . . 1.44 109.529 174.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -45.55 -41.41 18.55 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.118 2.545 . . . . 1.14 113.787 -176.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 42.3 mt-10 -62.71 -32.9 74.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.441 -0.345 . . . . 2.43 111.697 -178.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -69.04 -30.65 69.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 3.78 110.709 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -68.02 -38.7 82.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.393 -0.595 . . . . 1.46 109.393 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -73.39 -27.05 61.26 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.525 -0.761 . . . . 3.25 110.672 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 30.3 mtpp -62.34 -51.29 68.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.077 0.465 . . . . 2.44 109.79 174.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.8 mt -69.71 -36.09 75.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.623 . . . . 1.14 110.343 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -66.09 -24.58 66.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.698 -0.683 . . . . 2.2 110.046 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -80.38 -29.01 37.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.249 -0.432 . . . . 2.87 111.365 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.89 -46.35 45.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 3.64 110.838 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.06 133.87 51.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.095 -0.502 . . . . 0.6 109.964 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.53 101.64 5.73 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.61 -0.885 . . . . 1.77 108.61 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.67 -177.31 0.96 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.259 -1.337 . . . . 0.5 108.568 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 5.2 pt-20 -115.6 89.66 3.15 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.751 0.786 . . . . 1.77 109.239 169.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 9.9 p -86.33 144.82 8.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.718 -0.674 . . . . 1.05 110.713 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.34 116.0 27.54 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.361 -0.977 . . . . 2.71 108.361 170.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.5 m -87.47 134.35 27.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 120.42 -0.512 . . . . 0.71 109.738 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.581 ' HB2' HD23 ' A' ' 82' ' ' LEU . 29.8 mmt180 -132.49 137.74 47.31 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.302 -0.259 . . . . 2.63 110.302 -178.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 10.0 t -91.01 128.96 37.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.211 0.529 . . . . 0.64 109.843 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 13.2 m -117.83 107.76 22.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.66 0.743 . . . . 1.34 110.931 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.8 p -105.01 1.88 29.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.692 -0.685 . . . . 1.22 110.717 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.6 m -154.22 152.26 26.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.829 -0.623 . . . . 0.93 109.928 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 78.5 Cg_exo -51.78 -45.51 37.8 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.638 2.226 . . . . 0.6 112.726 -178.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.453 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 8.9 m-20 -60.84 -32.34 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.675 -0.693 . . . . 2.04 111.811 -175.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -56.7 -44.02 81.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.391 . . . . 2.21 110.742 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.92 -58.11 8.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.532 -0.758 . . . . 0.48 111.731 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 65.6 pttt -64.59 -28.68 69.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 1.53 111.281 -174.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -62.8 -49.75 73.72 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.117 -0.492 . . . . 4.21 110.699 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -63.46 -42.77 98.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.171 -0.468 . . . . 0.99 110.439 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.6 mt -56.82 -38.61 59.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.806 -0.634 . . . . 0.57 111.337 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -59.16 -45.21 91.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 2.66 111.133 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -80.89 -18.5 47.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.17 -0.468 . . . . 2.48 111.248 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 80.7 t80 -81.11 -42.2 21.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.946 -0.57 . . . . 1.43 111.169 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.5 p -77.12 -43.79 32.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.539 -0.301 . . . . 1.31 111.07 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.68 0.276 . . . . 2.53 110.501 177.924 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.598 0.237 . . . . 2.17 110.71 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 13.2 m -95.62 143.38 26.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.688 -0.486 . . . . 0.82 109.688 172.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.37 114.23 28.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.019 0.438 . . . . 0.39 110.743 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 65.6 m-85 -109.77 136.71 48.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.925 -0.58 . . . . 1.3 109.826 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.61 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 91.2 t -117.96 128.63 75.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.452 0.644 . . . . 1.08 110.334 176.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD23 HD12 ' A' ' 58' ' ' LEU . 11.2 mp -114.01 151.77 31.93 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.489 -0.93 . . . . 1.18 108.489 173.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.7 tt -143.0 117.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 109.82 -0.437 . . . . 0.55 109.82 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 58' ' ' LEU . 7.8 tp -111.56 79.72 1.24 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.809 0.814 . . . . 1.24 109.462 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -149.37 144.13 26.21 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 107.442 -1.318 . . . . 1.27 107.442 171.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -113.8 84.94 2.11 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 117.622 -1.631 . . . . 2.75 110.046 169.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.646 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 9.2 t70 -121.53 129.26 52.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.681 -1.6 . . . . 1.57 107.924 166.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -65.53 -29.81 70.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.345 0.498 . . . . 2.93 112.345 -171.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -89.08 -42.93 11.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.872 0.368 . . . . 3.44 110.3 -176.761 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 16.3 tp -56.58 -48.19 77.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 1.46 110.934 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.6 mt -58.84 -38.25 71.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 116.04 -0.527 . . . . 0.69 111.263 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.6 mm-40 -67.01 -60.0 3.0 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.826 -0.35 . . . . 2.15 111.301 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 32.8 mm-40 -59.46 -31.74 69.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.868 0.322 . . . . 2.05 111.868 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.03 79.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.376 . . . . 0.51 110.405 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.528 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 32.9 ttm180 -76.89 -26.44 54.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.453 -0.34 . . . . 2.96 110.907 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 70.0 mmtt -54.17 -47.72 71.69 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.472 0.653 . . . . 1.88 109.395 173.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.5 mmm -71.36 -47.9 53.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.094 -0.957 . . . . 1.68 110.856 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.06 -42.65 89.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.702 0.63 . . . . 0.49 112.702 -174.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 5.4 mm-40 -57.39 -41.52 80.44 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.984 0.421 . . . . 2.41 110.411 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 1.5 mptm? -77.69 -29.01 51.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.735 -0.666 . . . . 3.63 111.118 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.74 5.3 25.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.445 -0.343 . . . . 0.66 111.755 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 61.44 33.25 18.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.969 -0.559 . . . . 2.18 110.598 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' A' ' 118' ' ' ILE . 90.5 mt -100.79 132.04 46.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.039 -0.528 . . . . 0.59 110.372 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -79.95 93.73 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.347 -0.612 . . . . 0.53 109.347 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.61 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -99.14 124.91 44.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.008 -0.542 . . . . 1.14 110.466 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 50' ' ' ILE . 4.5 mp -107.8 109.12 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.943 -0.572 . . . . 0.94 109.734 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.88 116.16 17.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.067 -0.515 . . . . 1.17 111.535 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.405 HG23 HD12 ' A' ' 28' ' ' LEU . 3.4 m -136.45 142.08 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 1.38 110.23 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.588 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -135.21 93.44 0.24 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 119.539 -1.315 . . . . 1.24 111.656 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.588 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 16.2 t70 151.63 139.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.854 1.262 . . . . 1.98 107.652 -176.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 55' ' ' GLU . 1.8 mp0 -63.67 -23.92 67.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.669 0.271 . . . . 2.21 111.062 -175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 10.1 mm-40 -84.33 -33.43 23.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.513 -0.312 . . . . 2.04 110.873 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.63 -32.12 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.833 -0.347 . . . . 2.16 110.264 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.518 HD12 HD23 ' A' ' 26' ' ' LEU . 28.4 tp -63.69 -36.16 82.92 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.946 -0.391 . . . . 0.83 109.946 176.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.504 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 34.5 mmtm -58.93 -30.46 67.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.528 0.68 . . . . 2.26 110.481 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.2 mmmt -84.97 -40.31 17.08 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.054 -0.975 . . . . 2.35 110.569 -175.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.92 85.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.873 -0.603 . . . . 0.47 110.841 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 58' ' ' LEU . 83.2 mt -57.81 -50.67 76.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.83 111.114 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.35 -31.77 71.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 2.76 110.665 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.5 tttp -64.49 -46.59 82.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 2.11 109.911 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.64 86.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.799 -0.637 . . . . 0.38 110.612 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.663 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 8.6 t70 -56.48 -54.14 49.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.591 -0.731 . . . . 1.36 110.404 176.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 6.9 m-20 -59.84 -48.27 82.35 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.971 -0.559 . . . . 1.68 111.934 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LYS . 76.5 mt -58.96 -36.6 62.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 120.901 0.382 . . . . 0.51 111.074 -176.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -66.43 -44.33 83.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.53 111.538 -178.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 29.6 mmtp -70.47 -31.44 68.57 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 116.302 -0.408 . . . . 1.5 111.549 -172.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 30.3 mtpp . . . . . 0 C--N 1.324 -0.535 0 O-C-N 123.57 0.544 . . . . 2.71 110.418 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.968 0.414 . . . . 0.71 110.757 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HE3' ' NH2' ' A' ' 104' ' ' ARG . 39.4 mttp -111.8 122.4 47.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.936 -0.575 . . . . 1.67 109.818 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.478 ' HB ' HG23 ' A' ' 103' ' ' VAL . 55.9 mt -124.25 128.86 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.302 -0.408 . . . . 0.49 110.124 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 tp -111.76 115.29 28.83 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.865 -0.42 . . . . 1.4 109.865 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.0 mt -102.19 99.85 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.101 -0.24 . . . . 0.38 110.649 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.641 HD23 ' HB3' ' A' ' 106' ' ' ARG . 46.5 mt -90.7 99.18 12.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.956 0.408 . . . . 1.61 110.133 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.9 OUTLIER -120.69 165.23 15.36 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 122.305 -0.247 . . . . 1.17 110.433 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.19 100.74 10.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.981 -1.118 . . . . 2.04 107.981 171.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -175.42 137.81 0.54 Allowed Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 114.896 -1.047 . . . . 2.02 109.26 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.21 119.31 6.33 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 121.776 1.651 . . . . 0.85 110.024 168.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.4 m -124.25 145.24 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.572 0.701 . . . . 1.17 112.485 -172.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.0 t -100.51 144.58 28.75 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 114.999 -1.0 . . . . 1.44 109.252 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.08 -17.26 30.72 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.473 2.782 . . . . 1.14 112.731 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 13.8 tp10 -64.68 -44.7 89.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.979 0.418 . . . . 2.43 110.211 174.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -71.2 -28.08 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 3.78 110.196 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.31 -42.9 99.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.848 -0.615 . . . . 1.46 109.667 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.07 -29.94 69.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.73 -0.668 . . . . 3.25 110.503 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 57.0 mttm -70.72 -43.74 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.373 -0.376 . . . . 2.44 110.219 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.7 mt -72.87 -34.9 67.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.048 0.451 . . . . 1.14 110.344 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -66.37 -27.06 67.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.79 -0.641 . . . . 2.2 109.551 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -80.17 -21.19 43.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.919 -0.582 . . . . 2.87 111.137 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -74.83 -42.71 57.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 3.64 110.414 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.35 132.99 56.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.927 -0.579 . . . . 0.6 109.907 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.89 101.55 5.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.969 -0.752 . . . . 1.77 108.969 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.5 -170.15 0.4 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.18 -1.373 . . . . 0.5 108.53 -175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 4.7 pt-20 -116.35 89.08 3.03 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.776 0.798 . . . . 1.77 109.193 167.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.478 HG23 ' HB ' ' A' ' 79' ' ' ILE . 5.3 p -82.43 136.87 22.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.486 0.66 . . . . 1.05 109.802 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.498 ' NH2' ' HE3' ' A' ' 78' ' ' LYS . 97.2 mtt180 -114.79 99.78 7.75 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.454 -0.943 . . . . 2.71 108.454 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 m -72.94 136.68 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.135 -0.691 . . . . 0.71 109.135 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.641 ' HB3' HD23 ' A' ' 82' ' ' LEU . 15.1 tpp180 -138.94 127.78 23.53 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.788 0.328 . . . . 2.63 110.716 -174.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 15.1 t -90.47 126.36 35.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.193 0.52 . . . . 0.64 110.054 177.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.6 m -114.73 143.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.159 -0.473 . . . . 1.34 110.415 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -107.53 -39.66 5.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.097 -0.502 . . . . 1.22 111.768 -178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.0 m -134.4 160.55 68.06 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 119.416 -0.326 . . . . 0.93 110.624 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.451 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 81.1 Cg_exo -47.66 -46.65 20.37 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.873 2.382 . . . . 0.6 113.237 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.03 -29.59 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 2.04 111.706 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 28.5 mm-40 -63.64 -40.18 96.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.72 0.295 . . . . 2.21 110.518 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.93 81.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.856 -0.424 . . . . 0.48 109.856 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -57.29 -42.66 82.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.646 -0.706 . . . . 1.53 110.349 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 113' ' ' GLU . 54.9 ttt180 -51.13 -56.23 13.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.107 -0.951 . . . . 4.21 111.53 175.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -71.77 -34.65 69.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.99 111.492 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.412 HG23 ' CD1' ' A' ' 47' ' ' LEU . 57.3 mt -58.15 -49.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.519 -0.309 . . . . 0.57 111.427 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.3 -40.4 93.74 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.921 -0.312 . . . . 2.66 110.841 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.09 -30.16 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 2.48 111.125 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -75.74 -33.36 60.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.211 -0.45 . . . . 1.43 110.161 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 m -68.28 -43.38 77.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.687 -0.688 . . . . 1.31 110.235 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.046 -0.525 . . . . 2.53 110.012 177.565 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.006 -0.368 . . . . 2.17 110.006 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 m -98.57 130.49 45.12 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.256 -0.578 . . . . 0.82 110.148 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -105.3 130.07 53.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.289 -0.414 . . . . 0.39 110.25 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.741 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 61.1 m-85 -117.83 152.15 35.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.151 -0.477 . . . . 1.3 110.99 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.42 124.37 48.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 121.766 0.793 . . . . 1.08 110.196 171.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 58' ' ' LEU . 8.5 mp -105.67 152.8 22.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.659 -1.155 . . . . 1.18 109.041 175.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 5.6 tp -139.57 108.88 3.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 109.759 -0.46 . . . . 0.55 109.759 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.492 HD12 HG13 ' A' ' 52' ' ' VAL . 7.4 tp -97.21 76.44 2.63 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 119.294 -0.963 . . . . 1.24 108.606 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -149.58 141.78 24.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.813 -1.539 . . . . 1.27 108.223 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -114.09 84.75 2.09 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 117.538 -1.665 . . . . 2.75 109.928 166.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 14.3 t70 -122.1 118.79 29.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.284 -1.326 . . . . 1.57 107.996 164.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 45.6 mtmt -65.4 -24.37 67.2 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 111.808 0.299 . . . . 2.93 111.808 -174.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HD3' ' H ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.75 -39.13 20.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.46 . . . . 3.44 109.981 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 14.8 tp -64.81 -51.63 61.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 1.46 111.016 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.7 mt -51.81 -36.69 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 O-C-N 123.787 0.679 . . . . 0.69 110.743 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 15.6 mm-40 -59.46 -56.97 15.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.999 -0.546 . . . . 2.15 111.284 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 38.3 mt-10 -73.37 -30.19 63.14 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.804 -0.358 . . . . 2.05 111.34 -175.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.2 86.75 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.103 -0.703 . . . . 0.51 109.103 173.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.8 ttm-85 -71.09 -46.18 62.29 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.479 -0.782 . . . . 2.96 110.236 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 24.7 mmtp -55.6 -46.21 77.33 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.977 0.418 . . . . 1.88 110.377 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.1 tpt -66.06 -44.92 83.13 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.741 -0.663 . . . . 1.68 110.992 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.27 -27.64 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.49 111.396 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.5 tm-20 -63.59 -44.06 95.12 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.496 -0.927 . . . . 2.41 108.496 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 93.1 mttt -72.84 -24.01 60.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.728 -1.124 . . . . 3.63 111.133 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.66 -1.99 58.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.66 111.548 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.5 m120 62.31 35.35 15.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.864 -0.607 . . . . 2.18 111.495 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.413 HD12 HG23 ' A' ' 118' ' ' ILE . 69.8 mt -96.63 148.61 22.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.643 -0.708 . . . . 0.59 110.246 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' CD1' ' A' ' 24' ' ' PHE . 4.9 mm -79.66 107.58 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.342 -0.614 . . . . 0.53 109.342 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 39' ' ' ARG . 39.8 tp -90.91 129.63 36.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.867 0.365 . . . . 1.14 111.073 -178.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.42 107.95 22.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.94 109.706 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 p -81.93 126.53 32.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.671 -0.695 . . . . 1.17 110.184 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.492 HG13 HD12 ' A' ' 28' ' ' LEU . 4.1 p -153.45 141.0 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.572 -0.285 . . . . 1.38 110.692 -175.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -140.19 96.38 0.21 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.195 -1.003 . . . . 1.24 112.465 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.51 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.7 t70 152.25 141.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.435 1.494 . . . . 1.98 107.358 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -71.17 -28.73 64.46 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.829 0.347 . . . . 2.21 111.322 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.1 mm-40 -80.61 -32.59 36.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.981 -0.748 . . . . 2.04 108.981 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' CG ' ' HB3' ' A' ' 54' ' ' ASP . 19.5 mm-40 -71.55 -24.94 62.03 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.535 -0.757 . . . . 2.16 110.653 176.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.545 ' CD1' HD23 ' A' ' 26' ' ' LEU . 52.6 tp -65.55 -34.63 78.71 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.427 -0.582 . . . . 0.83 109.427 174.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 59.6 mttm -60.36 -27.26 67.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.581 0.705 . . . . 2.26 110.273 174.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -88.7 -38.0 15.09 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.049 -0.978 . . . . 2.35 110.712 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.67 91.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.391 . . . . 0.47 110.835 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.28 -46.79 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.03 -0.532 . . . . 0.83 110.581 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -66.76 -34.98 79.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.397 . . . . 2.76 110.599 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' HG13 ' A' ' 68' ' ' ILE . 87.0 tttt -57.49 -44.09 84.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 2.11 110.353 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.77 -41.5 71.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.619 . . . . 0.38 110.971 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -52.84 -46.97 68.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.807 -0.633 . . . . 1.36 111.068 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.31 -40.84 90.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 1.68 111.616 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 64' ' ' LYS . 82.3 mt -61.82 -43.23 97.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.081 0.467 . . . . 0.51 110.456 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.741 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -73.84 -57.51 3.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.53 112.095 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -69.02 -29.03 67.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.393 -0.822 . . . . 1.5 112.629 -163.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.6 tptp . . . . . 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 2.71 110.903 -179.47 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.953 -0.388 . . . . 0.71 109.953 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -126.54 133.66 51.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.842 0.353 . . . . 1.67 110.227 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 58.1 mt -125.23 131.33 72.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.054 -0.521 . . . . 0.49 110.166 -177.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.74 108.55 20.08 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.179 -0.674 . . . . 1.4 109.179 176.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.613 HG22 HD22 ' A' ' 83' ' ' LEU . 76.2 mt -94.72 108.15 20.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.176 -0.61 . . . . 0.38 110.036 175.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 88.7 mt -91.87 120.05 32.2 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.254 -0.647 . . . . 1.61 109.254 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.613 HD22 HG22 ' A' ' 81' ' ' ILE . 1.2 pt? -140.81 155.33 46.4 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.669 -0.241 . . . . 1.17 110.456 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -107.08 99.4 8.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.884 0.85 . . . . 2.04 110.241 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -174.81 163.97 2.41 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 114.067 -1.424 . . . . 2.02 108.199 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.65 119.6 6.64 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 121.796 1.664 . . . . 0.85 111.172 170.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.0 m -124.52 130.38 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.278 0.561 . . . . 1.17 111.396 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.3 p -100.18 167.96 10.16 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 1.44 109.767 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.04 -31.01 88.86 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 121.749 1.633 . . . . 1.14 111.443 172.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.77 -33.09 68.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.075 -0.511 . . . . 2.43 110.589 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -65.72 -45.63 81.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.472 -0.566 . . . . 3.78 109.472 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.84 -43.02 99.68 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.845 -0.616 . . . . 1.46 110.324 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -58.03 -35.26 71.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.02 -0.536 . . . . 3.25 110.88 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -65.17 -36.76 85.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.25 -0.432 . . . . 2.44 110.944 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.441 HD12 HG11 ' A' ' 105' ' ' VAL . 87.2 mt -86.5 -35.23 19.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.201 0.524 . . . . 1.14 110.603 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.58 ' HA ' ' CG1' ' A' ' 103' ' ' VAL . 64.7 tt0 -69.41 -27.66 65.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.582 -0.735 . . . . 2.2 110.661 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -81.32 -27.17 35.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.49 -0.323 . . . . 2.87 110.925 172.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.92 -45.88 90.4 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.88 0.371 . . . . 3.64 111.195 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.51 154.05 26.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.212 -0.449 . . . . 0.6 110.55 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -92.15 99.01 11.89 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.81 -0.811 . . . . 1.77 108.81 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.96 -175.42 0.59 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.091 -1.413 . . . . 0.5 107.509 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -109.4 87.66 2.55 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.332 -0.988 . . . . 1.77 108.332 167.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.58 ' CG1' ' HA ' ' A' ' 96' ' ' GLN . 3.3 p -98.59 122.04 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 115.409 -0.814 . . . . 1.05 110.503 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -113.01 131.16 55.88 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.068 -0.969 . . . . 2.71 108.962 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.544 HG12 ' HB ' ' A' ' 81' ' ' ILE . 3.4 m -113.78 129.84 68.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.251 0.548 . . . . 0.71 110.216 -173.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' HD23 ' A' ' 82' ' ' LEU . 2.4 mmp_? -121.09 137.02 54.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.019 -0.537 . . . . 2.63 110.317 -176.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 5.3 t -87.56 115.81 25.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.382 0.611 . . . . 0.64 110.366 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.5 m -118.33 122.29 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.969 -0.56 . . . . 1.34 111.026 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.2 p -105.47 1.67 27.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.183 -0.462 . . . . 1.22 111.786 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 m -153.53 157.16 32.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 O-C-N 122.4 -0.188 . . . . 0.93 110.934 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.534 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 82.4 Cg_exo -50.31 -52.97 7.89 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.093 2.529 . . . . 0.6 113.452 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 4.5 m-20 -62.33 -29.0 70.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 2.04 111.651 -175.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.78 -47.38 86.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.158 0.504 . . . . 2.21 109.824 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -64.77 -47.61 77.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.48 110.77 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 26.3 mtpp -56.55 -36.76 69.64 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.777 -0.647 . . . . 1.53 110.811 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.4 -58.03 9.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.683 -0.689 . . . . 4.21 111.166 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -66.13 -31.52 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 0.99 111.843 -173.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.3 mt -59.42 -45.49 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.922 0.391 . . . . 0.57 110.52 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -73.1 -28.01 62.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 2.66 111.142 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -71.71 -44.93 63.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.945 0.402 . . . . 2.48 110.383 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -63.92 -28.82 70.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.837 -0.619 . . . . 1.43 110.96 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.8 m -64.4 -30.05 71.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.054 0.455 . . . . 1.31 110.656 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.008 -0.542 . . . . 2.53 111.363 -175.825 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.476 ' SD ' ' HG3' ' A' ' 78' ' ' LYS . 40.3 ttm . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.833 -0.432 . . . . 2.17 109.833 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 m -104.32 132.48 50.52 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.013 -0.365 . . . . 0.82 110.013 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -99.75 123.75 44.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.09 0.471 . . . . 0.39 110.82 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 57.9 m-85 -111.39 141.46 44.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.73 -0.668 . . . . 1.3 109.95 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.9 t -121.22 106.81 19.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.166 0.508 . . . . 1.08 110.348 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.49 ' HB2' HG12 ' A' ' 81' ' ' ILE . 7.9 mp -95.32 141.43 28.9 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.651 -0.87 . . . . 1.18 108.651 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.681 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 12.2 tt -148.38 128.09 4.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.104 -0.638 . . . . 0.55 112.574 -174.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD11 HD13 ' A' ' 58' ' ' LEU . 6.2 mp -115.94 80.95 1.52 Allowed 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.251 -0.648 . . . . 1.24 109.251 171.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -149.17 88.69 1.6 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.634 -0.876 . . . . 1.27 108.634 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -86.23 85.68 7.34 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.028 -1.469 . . . . 2.75 110.711 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.597 ' OD2' ' HG3' ' A' ' 33' ' ' LYS . 23.8 t70 -121.11 137.05 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.106 -1.406 . . . . 1.57 107.745 163.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -55.66 28.37 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 119.067 0.849 . . . . 2.93 111.536 -171.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HG3' ' OD2' ' A' ' 31' ' ' ASP . 13.3 pttp -64.77 -36.19 83.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 3.44 111.593 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 3.0 tm? -56.24 -53.95 51.14 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.724 0.297 . . . . 1.46 110.338 175.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.55 -36.79 75.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.69 110.705 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 6.5 mm-40 -59.24 -61.47 2.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 2.15 110.889 175.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.538 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 54.0 mm-40 -58.32 -41.86 85.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.356 -0.383 . . . . 2.05 111.996 -177.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.91 93.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.51 111.111 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -69.51 -38.99 77.84 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 120.862 -0.335 . . . . 2.96 110.894 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 65.5 mttm -56.13 -31.32 63.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 1.88 110.847 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.2 tpp -75.7 -56.18 4.94 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.218 -0.446 . . . . 1.68 111.216 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.23 71.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.307 0.484 . . . . 0.49 112.307 -174.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.32 -51.08 71.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.305 0.574 . . . . 2.41 109.459 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -66.1 -30.9 71.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.039 -0.982 . . . . 3.63 110.715 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.56 -3.76 39.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.66 111.493 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.2 t30 67.35 43.23 2.03 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.581 -0.736 . . . . 2.18 110.491 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -107.2 155.97 19.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.539 -0.755 . . . . 0.59 109.214 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mt -94.77 96.1 5.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.151 0.5 . . . . 0.53 109.852 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tt -89.87 133.01 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.838 -0.619 . . . . 1.14 109.912 -178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.3 mm -118.76 102.21 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.053 -0.521 . . . . 0.94 110.24 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.81 120.38 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 1.17 110.463 175.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.528 HG11 ' HB2' ' A' ' 61' ' ' ALA . 4.5 m -127.48 -178.12 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.104 0.478 . . . . 1.38 111.454 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -135.98 99.06 0.3 Allowed Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.54 -0.755 . . . . 1.24 112.415 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 6.4 m-20 87.04 162.56 0.08 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.0 0.92 . . . . 1.98 111.343 170.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 2.4 mp0 -47.93 -41.94 26.04 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.352 0.407 . . . . 2.21 111.359 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.79 -50.27 72.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.526 -0.761 . . . . 2.04 111.106 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 31.5 mm-40 -70.22 -28.74 65.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.557 -0.292 . . . . 2.16 111.021 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.462 HD13 HD11 ' A' ' 28' ' ' LEU . 60.5 tp -63.88 -41.07 97.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.326 -0.397 . . . . 0.83 110.033 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 67.6 mttm -56.2 -32.2 64.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.311 0.577 . . . . 2.26 111.149 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.482 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 6.8 mmpt? -84.32 -31.32 24.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.346 -0.843 . . . . 2.35 110.421 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.528 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -71.65 -37.1 70.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 0.47 110.087 175.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 58' ' ' LEU . 95.6 mt -59.51 -51.4 73.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.595 -0.729 . . . . 0.83 110.611 177.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -71.25 -29.06 64.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.47 -0.332 . . . . 2.76 110.571 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' HG13 ' A' ' 68' ' ' ILE . 85.3 tttt -65.38 -48.25 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 2.11 110.171 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.79 99.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.38 110.237 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.87 -34.79 68.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.372 -0.831 . . . . 1.36 110.861 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 38.7 t70 -83.68 -42.67 16.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.788 -0.642 . . . . 1.68 111.755 -175.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 64' ' ' LYS . 77.4 mt -67.43 -40.4 84.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.167 0.508 . . . . 0.51 110.684 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.517 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -65.95 -60.31 2.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.685 -0.689 . . . . 0.53 111.262 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 23.1 ttmt -64.61 -23.96 67.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.806 -1.088 . . . . 1.5 111.509 -174.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 87.6 tttt . . . . . 0 C--N 1.33 -0.278 0 O-C-N 124.182 0.927 . . . . 2.71 111.22 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.547 0 CA-C-O 121.157 0.503 . . . . 0.71 110.981 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.476 ' HG3' ' SD ' ' A' ' 21' ' ' MET . 44.0 mttm -129.89 126.19 37.36 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.374 -0.973 . . . . 1.67 108.374 172.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.56 ' HB ' HG23 ' A' ' 103' ' ' VAL . 62.0 mt -121.67 143.31 34.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.977 -0.556 . . . . 0.49 109.969 -172.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -112.18 124.34 52.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.04 -0.726 . . . . 1.4 109.04 176.23 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.49 HG12 ' HB2' ' A' ' 26' ' ' LEU . 80.3 mt -109.2 103.9 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.996 -0.372 . . . . 0.38 109.996 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.681 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 90.3 mt -99.33 140.51 33.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 1.61 109.953 176.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -163.44 156.05 18.27 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.67 -0.241 . . . . 1.17 110.722 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -99.41 99.17 10.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.493 -1.669 . . . . 2.04 106.493 171.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.449 ' HB3' HD13 ' A' ' 83' ' ' LEU . 24.5 ttmm -176.75 143.73 0.59 Allowed Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.234 -0.894 . . . . 2.02 109.527 -172.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.36 118.21 5.27 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.388 1.392 . . . . 0.85 110.621 170.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -130.93 143.8 39.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.174 0.512 . . . . 1.17 111.053 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -87.63 137.19 32.19 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.51 -0.768 . . . . 1.44 110.12 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.46 -20.68 41.88 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.921 2.414 . . . . 1.14 111.863 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.97 -42.27 66.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.297 -0.631 . . . . 2.43 109.297 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -66.92 -30.91 71.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.363 -0.835 . . . . 3.78 110.01 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.77 -40.86 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.768 -0.651 . . . . 1.46 110.82 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -81.78 -11.92 58.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.295 -0.412 . . . . 3.25 110.782 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.18 -46.91 39.18 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.294 -1.002 . . . . 2.44 108.294 171.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 98' ' ' TYR . 9.2 mp -66.27 -38.51 87.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.0 -1.0 . . . . 1.14 110.581 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -67.7 -23.13 65.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 2.2 109.992 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -80.22 -38.48 31.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 2.87 111.394 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 20.4 m-85 -61.27 -50.05 74.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.807 0.337 . . . . 3.64 111.226 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.54 149.43 22.21 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.482 -0.562 . . . . 0.6 109.482 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -87.25 99.53 12.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.156 -1.053 . . . . 1.77 108.156 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.32 178.24 1.39 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.462 -1.245 . . . . 0.5 109.085 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -111.74 89.37 3.04 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.054 -0.721 . . . . 1.77 109.054 169.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.56 HG23 ' HB ' ' A' ' 79' ' ' ILE . 6.4 p -86.67 138.39 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 121.527 0.68 . . . . 1.05 110.386 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.434 ' O ' HD23 ' A' ' 80' ' ' LEU . 67.4 ttt180 -111.58 101.24 9.66 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.023 -0.989 . . . . 2.71 108.531 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.51 111.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 110.131 -0.322 . . . . 0.71 110.131 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.415 ' HB2' HD23 ' A' ' 82' ' ' LEU . 17.6 mmm180 -123.04 133.57 54.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.07 0.462 . . . . 2.63 111.06 -174.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.9 t -87.45 138.95 31.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.062 -0.517 . . . . 0.64 109.898 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.56 150.06 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.939 0.399 . . . . 1.34 110.559 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.1 p -117.52 -27.04 6.44 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.843 -0.617 . . . . 1.22 111.584 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.2 m -139.69 152.47 68.51 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 122.207 -0.308 . . . . 0.93 111.284 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.455 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 51.3 Cg_exo -53.1 -47.76 25.8 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.651 2.234 . . . . 0.6 113.495 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.59 -39.78 74.12 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.063 0.459 . . . . 2.04 111.012 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -63.24 -42.99 99.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.386 -0.825 . . . . 2.21 110.328 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.07 95.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.524 . . . . 0.48 110.521 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.538 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 54.6 mtpt -60.3 -37.14 79.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.918 -0.583 . . . . 1.53 110.281 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.97 -44.43 96.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.292 -0.867 . . . . 4.21 111.152 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -65.44 -43.97 88.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.99 110.594 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.02 -44.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.995 0.426 . . . . 0.57 110.43 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.578 ' O ' ' HG3' ' A' ' 123' ' ' GLU . 62.1 tttp -57.22 -51.05 70.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.616 -0.72 . . . . 2.66 110.728 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.0 -41.78 97.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 2.48 110.728 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -67.59 -30.82 70.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.758 -0.656 . . . . 1.43 111.026 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.7 t -75.67 -34.31 60.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.148 -0.478 . . . . 1.31 110.651 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 119' ' ' LYS . 44.7 mt-10 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.485 -0.325 . . . . 2.53 111.245 -177.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.782 0.325 . . . . 2.17 110.44 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.3 m -96.54 147.45 23.85 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.765 -0.458 . . . . 0.82 109.765 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 78' ' ' LYS . 53.8 mt -113.46 120.58 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.05 0.452 . . . . 0.39 110.782 -177.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 68.8 m-85 -111.15 149.31 31.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.995 -0.548 . . . . 1.3 110.153 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 49' ' ' LEU . 2.5 p -142.02 122.4 11.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.509 0.671 . . . . 1.08 111.242 177.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.7 mm? -103.24 162.85 12.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.072 -0.967 . . . . 1.18 108.669 176.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.647 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.6 tt -150.23 118.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.233 0.457 . . . . 0.55 112.233 -175.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 83' ' ' LEU . 6.0 mp -107.56 79.81 1.33 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.504 0.669 . . . . 1.24 109.863 170.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -149.57 144.81 26.46 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.085 -1.08 . . . . 1.27 108.085 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -122.01 86.53 2.59 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.389 -1.324 . . . . 2.75 110.43 166.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.654 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.1 t70 -119.9 145.16 46.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.282 -1.327 . . . . 1.57 108.506 167.235 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -75.38 -32.23 60.72 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 111.791 0.293 . . . . 2.93 111.791 -173.856 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -82.62 -46.83 12.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.673 0.273 . . . . 3.44 110.675 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.763 HD13 ' HA ' ' A' ' 111' ' ' PRO . 38.6 tp -54.57 -51.28 65.76 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.885 -0.598 . . . . 1.46 111.22 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.2 mt -58.42 -39.66 75.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.714 0.292 . . . . 0.69 111.292 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 15.2 mm-40 -69.64 -56.31 7.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.544 -0.298 . . . . 2.15 111.313 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.85 -33.03 74.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.585 -0.279 . . . . 2.05 111.439 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.91 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.651 -0.25 . . . . 0.51 110.69 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -72.65 -34.42 67.24 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 120.222 -0.591 . . . . 2.96 110.785 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.642 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 68.9 mttm -61.41 -37.99 85.47 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.557 -0.457 . . . . 1.88 110.329 177.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.5 tpt -74.76 -47.38 31.3 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.309 -0.405 . . . . 1.68 110.335 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -69.93 -31.19 68.82 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.367 0.506 . . . . 0.49 112.367 -175.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -65.9 -47.42 74.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.464 -0.569 . . . . 2.41 109.464 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 4.2 mptp? -73.6 -11.65 60.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.545 . . . . 3.63 110.377 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' ' 122' ' ' SER . . . -97.45 1.17 48.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.914 -0.585 . . . . 0.66 110.423 176.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 56.75 43.38 25.31 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.072 -0.967 . . . . 2.18 111.889 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.448 HD12 HG23 ' A' ' 118' ' ' ILE . 54.5 mt -104.5 141.7 35.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.925 -0.58 . . . . 0.59 109.943 178.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mt -82.01 96.81 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.856 -0.424 . . . . 0.53 109.856 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HA ' HG13 ' A' ' 25' ' ' VAL . 19.0 tp -92.89 111.98 23.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 1.14 111.336 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.484 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 5.2 mp -104.79 115.78 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.131 -0.486 . . . . 0.94 109.711 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.9 p -75.4 122.65 24.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.273 -0.421 . . . . 1.17 110.167 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 p -150.35 115.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.889 0.376 . . . . 1.38 110.855 -174.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -116.75 95.79 0.69 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 119.562 -1.304 . . . . 1.24 113.007 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 31.4 t70 161.71 146.01 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.707 1.203 . . . . 1.98 108.919 173.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -64.44 -47.36 79.35 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.945 0.339 . . . . 2.21 111.086 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 28.9 mm-40 -67.69 -37.82 82.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.153 -0.476 . . . . 2.04 110.01 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 68.7 mm-40 -65.26 -32.87 74.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.268 -0.424 . . . . 2.16 110.826 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 62' ' ' ILE . 58.1 tp -60.7 -44.23 96.81 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.686 -0.487 . . . . 0.83 109.686 175.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -56.49 -24.39 45.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.342 0.592 . . . . 2.26 111.002 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 45.0 mmtt -90.31 -33.82 15.96 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.294 -0.866 . . . . 2.35 110.024 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.88 60.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.705 . . . . 0.47 111.246 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -65.83 -34.37 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 120.304 -0.558 . . . . 0.83 109.902 177.048 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -65.34 -38.02 88.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 2.76 110.402 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -65.81 -41.29 92.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.92 -0.582 . . . . 2.11 110.198 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.32 97.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 0.38 110.193 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -56.69 -41.37 77.24 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.469 -0.787 . . . . 1.36 111.088 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.39 -50.54 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.616 -0.72 . . . . 1.68 111.116 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.2 mt -68.42 -35.51 70.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.286 -0.416 . . . . 0.51 110.93 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.406 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -66.57 -66.35 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.321 -0.4 . . . . 0.53 111.689 -178.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -66.55 -10.92 50.07 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 112.241 0.46 . . . . 1.5 112.241 -174.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.025 0.828 . . . . 2.71 111.387 -179.498 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.818 0.342 . . . . 0.71 110.777 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.401 ' HB2' HD22 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -108.33 131.8 54.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.773 -0.825 . . . . 1.67 108.773 171.476 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mm -120.27 113.76 41.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.03 -0.359 . . . . 0.49 110.03 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 104' ' ' ARG . 26.7 tp -94.28 126.35 39.48 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.718 -0.475 . . . . 1.4 109.718 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.414 HD12 HG12 ' A' ' 105' ' ' VAL . 66.6 mt -112.44 99.73 9.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.492 -0.558 . . . . 0.38 109.492 174.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -92.63 110.49 21.92 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.41 -0.814 . . . . 1.61 109.463 -175.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.1 pp -145.37 177.87 8.51 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.78 0.324 . . . . 1.17 111.376 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.9 102.49 9.12 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.16 -1.052 . . . . 2.04 108.16 168.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.406 ' HB3' HD13 ' A' ' 83' ' ' LEU . 40.8 ttmt -173.73 130.46 0.53 Allowed Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 114.979 -1.009 . . . . 2.02 108.998 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.68 118.81 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 121.952 1.768 . . . . 0.85 110.787 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.3 m -117.19 126.37 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.386 0.612 . . . . 1.17 111.663 -175.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.9 m -99.38 148.39 34.62 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.595 -0.73 . . . . 1.44 110.041 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -44.09 -46.01 11.49 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.045 2.496 . . . . 1.14 113.217 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.21 -41.91 89.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 2.43 111.188 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -67.73 -39.46 84.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.481 -0.327 . . . . 3.78 110.381 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.82 -35.55 80.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.294 0.568 . . . . 1.46 110.016 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -67.95 -34.02 75.77 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.515 -0.766 . . . . 3.25 110.097 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.24 -32.71 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 2.44 110.141 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.497 HD12 HG11 ' A' ' 105' ' ' VAL . 91.9 mt -73.5 -38.23 65.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.51 . . . . 1.14 110.079 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.454 ' HG2' ' H ' ' A' ' 103' ' ' VAL . 90.3 mt-30 -68.32 -20.11 64.72 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.335 0.588 . . . . 2.2 109.826 172.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -79.44 -37.78 36.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.535 -0.757 . . . . 2.87 111.166 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.71 -48.59 76.46 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.912 0.387 . . . . 3.64 110.493 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.01 119.79 36.39 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.654 -0.498 . . . . 0.6 109.654 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -76.42 102.3 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.942 0.877 . . . . 1.77 110.083 -175.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -174.88 -171.98 0.58 Allowed 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.522 -1.672 . . . . 0.5 106.925 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -99.34 92.1 5.26 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.409 -0.916 . . . . 1.77 109.19 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.454 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 15.6 t -82.14 118.03 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 114.868 -1.06 . . . . 1.05 110.236 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 80' ' ' LEU . 77.6 mtp180 -101.38 101.7 12.39 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.625 -0.716 . . . . 2.71 109.083 174.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.497 HG11 HD12 ' A' ' 95' ' ' LEU . 4.0 m -91.62 140.04 16.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 109.413 -0.588 . . . . 0.71 109.413 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -133.77 132.04 40.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.609 0.242 . . . . 2.63 111.495 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 6.4 t -100.61 122.56 43.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.986 -0.552 . . . . 0.64 109.782 174.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.16 145.29 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.247 0.546 . . . . 1.34 111.015 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.2 p -93.63 -29.93 15.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.624 -0.716 . . . . 1.22 111.387 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.5 m -149.35 160.42 34.6 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 116.366 -0.379 . . . . 0.93 110.572 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.763 ' HA ' HD13 ' A' ' 34' ' ' LEU . 95.6 Cg_exo -43.07 -44.02 9.62 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.397 2.731 . . . . 0.6 113.18 177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 13.0 t70 -51.11 -42.45 60.68 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.29 -0.868 . . . . 2.04 112.418 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.71 -49.19 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 2.21 110.972 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.91 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.48 111.332 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 30.2 mtpp -52.38 -41.29 62.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.776 -0.647 . . . . 1.53 110.879 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -82.16 -32.12 30.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.475 . . . . 4.21 111.977 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -70.78 -39.5 73.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.663 0.268 . . . . 0.99 111.236 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.448 HG23 HD12 ' A' ' 47' ' ' LEU . 91.7 mt -61.45 -36.37 72.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.153 -0.476 . . . . 0.57 110.176 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -60.99 -51.37 69.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 2.66 110.973 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.6 -38.55 91.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 2.48 111.326 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -67.71 -44.57 77.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 1.43 111.311 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.435 ' CB ' ' HB1' ' A' ' 45' ' ' ALA . 11.5 p -69.48 -38.54 77.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.58 -0.282 . . . . 1.31 111.336 -177.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 2.53 111.012 179.654 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.757 0.313 . . . . 2.17 110.826 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.8 m -82.0 138.0 35.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.337 -0.616 . . . . 0.82 109.337 172.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HB2' HD22 ' A' ' 47' ' ' LEU . 85.5 mt -102.84 113.27 26.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.164 0.507 . . . . 0.39 110.462 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CE1' HD12 ' A' ' 48' ' ' ILE . 57.0 m-85 -101.11 151.21 22.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.701 -0.681 . . . . 1.3 109.607 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.1 p -140.85 117.18 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.907 0.86 . . . . 1.08 110.984 176.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 58' ' ' LEU . 7.5 mp -103.89 155.77 18.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.755 -1.112 . . . . 1.18 108.598 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 6.1 tt -146.93 109.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 C-N-CA 120.601 -0.44 . . . . 0.55 111.753 -175.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.534 HD13 HD13 ' A' ' 58' ' ' LEU . 2.8 mp -96.31 82.47 3.42 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.625 0.726 . . . . 1.24 109.43 174.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.9 t -147.67 143.8 27.91 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.592 -1.185 . . . . 1.27 108.976 175.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -118.3 84.24 2.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.494 1.14 . . . . 2.75 109.272 164.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.2 t70 -122.15 163.18 19.98 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.072 -1.422 . . . . 1.57 108.011 169.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 46.9 mmtm -90.25 -34.06 15.91 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 118.643 0.656 . . . . 2.93 110.847 174.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -90.19 -43.05 10.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.672 -0.24 . . . . 3.44 111.092 -176.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.564 ' HG ' ' HA ' ' A' ' 111' ' ' PRO . 6.1 tt -56.56 -43.7 80.21 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.327 -0.397 . . . . 1.46 110.219 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.3 mt -60.32 -48.56 87.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.69 111.042 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 21.5 mm-40 -65.87 -45.5 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 2.15 111.703 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -58.49 -37.9 76.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.958 0.409 . . . . 2.05 110.679 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.25 -49.53 71.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.51 110.516 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -66.44 -37.45 85.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.365 -0.379 . . . . 2.96 111.611 -177.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 98.4 mttt -49.49 -47.77 48.37 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.987 0.422 . . . . 1.88 110.774 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 mmt -76.42 -52.23 10.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.946 -0.57 . . . . 1.68 111.045 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -64.89 -39.52 93.65 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.493 0.553 . . . . 0.49 112.493 -172.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.05 -39.26 89.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.254 0.55 . . . . 2.41 109.811 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 44' ' ' LYS . 3.9 tmmm? -70.64 -33.22 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.634 -0.712 . . . . 3.63 109.251 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.54 14.72 4.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.671 -0.695 . . . . 0.66 111.048 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.7 p30 46.24 31.25 1.17 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.246 1.019 . . . . 2.18 112.624 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 23' ' ' LEU . 42.0 mt -79.7 155.07 28.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.415 -0.587 . . . . 0.59 109.415 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.504 HD12 ' CE1' ' A' ' 24' ' ' PHE . 42.0 mt -91.27 92.31 3.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.252 0.549 . . . . 0.53 109.624 176.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 50.6 tp -84.68 117.06 23.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.184 -0.917 . . . . 1.14 110.416 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.9 mt -110.82 101.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.204 0.526 . . . . 0.94 109.693 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.5 p -80.01 100.81 8.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.71 -0.677 . . . . 1.17 111.431 -177.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 13.4 m -126.11 139.04 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.693 -0.685 . . . . 1.38 109.764 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.587 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -125.01 94.15 0.45 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 119.281 -1.437 . . . . 1.24 111.867 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 13.3 t70 158.8 148.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.734 -1.21 . . . . 1.98 107.734 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -71.99 -25.11 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.79 0.328 . . . . 2.21 110.775 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 10.5 mm-40 -82.16 -37.23 26.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.262 -0.426 . . . . 2.04 109.888 177.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -70.19 -25.85 63.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 2.16 110.655 177.056 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD12 HD23 ' A' ' 26' ' ' LEU . 63.0 tp -58.75 -43.13 90.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.272 -0.64 . . . . 0.83 109.272 171.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.29 -22.67 66.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.699 -0.682 . . . . 2.26 111.787 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 26.4 mmtp -84.23 -41.3 17.08 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.819 -0.628 . . . . 2.35 109.975 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.67 83.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.671 -0.695 . . . . 0.47 109.934 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.89 -46.1 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 0.83 111.107 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -61.74 -46.32 90.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.35 . . . . 2.76 111.318 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 68' ' ' ILE . 18.4 ptpt -72.28 -27.24 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.814 -0.355 . . . . 2.11 110.921 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.07 -45.42 85.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 0.38 110.068 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.448 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 4.7 t70 -61.68 -38.18 86.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 1.36 110.382 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.83 -50.86 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.538 -0.755 . . . . 1.68 111.195 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 64' ' ' LYS . 83.6 mt -64.52 -34.07 67.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-O 121.071 0.462 . . . . 0.51 110.632 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.93 -59.99 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.012 -0.54 . . . . 0.53 111.265 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 100' ' ' ASP . 84.1 mttt -66.39 -12.48 57.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.676 0.621 . . . . 1.5 112.676 -175.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? . . . . . 0 C--N 1.327 -0.382 0 O-C-N 123.978 0.799 . . . . 2.71 110.753 -175.249 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.812 0.339 . . . . 0.71 111.173 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' HB2' ' A' ' 102' ' ' GLU . 59.4 mttp -127.99 134.55 49.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.007 -0.542 . . . . 1.67 109.84 177.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.503 ' HB ' HG23 ' A' ' 103' ' ' VAL . 59.2 mt -127.75 135.94 61.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.123 -0.489 . . . . 0.49 110.145 -177.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.36 123.56 48.54 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.93 -0.767 . . . . 1.4 108.93 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.603 HG22 HD22 ' A' ' 83' ' ' LEU . 86.7 mt -110.39 107.62 23.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.553 -0.536 . . . . 0.38 109.553 173.403 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 106' ' ' ARG . 94.5 mt -92.35 99.74 12.44 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.562 -0.533 . . . . 1.61 109.562 175.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.625 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.7 pt? -124.43 137.86 54.41 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.581 -0.282 . . . . 1.17 110.778 -176.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 47.5 mt-10 -89.09 99.41 12.4 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 119.293 -0.963 . . . . 2.04 109.605 173.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -174.32 157.7 2.52 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 114.896 -1.047 . . . . 2.02 108.351 168.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.85 119.14 6.13 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 121.935 1.756 . . . . 0.85 110.878 172.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.11 140.65 42.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.227 0.537 . . . . 1.17 111.954 -176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -101.07 148.86 35.69 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.42 -0.809 . . . . 1.44 109.284 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -48.96 -36.14 33.8 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.86 2.373 . . . . 1.14 113.007 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.35 -34.47 72.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.284 -0.416 . . . . 2.43 110.854 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -74.63 -31.86 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.651 -0.249 . . . . 3.78 111.18 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.73 -45.25 94.98 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.42 -0.585 . . . . 1.46 109.42 173.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.57 -27.82 69.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 3.25 110.793 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -76.47 -36.56 57.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.55 -0.295 . . . . 2.44 110.568 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.1 mt -77.16 -35.7 55.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.544 0.687 . . . . 1.14 109.534 174.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -67.93 -19.32 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.68 -1.145 . . . . 2.2 109.326 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -81.15 -40.25 24.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.018 -0.992 . . . . 2.87 111.506 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -62.98 -47.16 84.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.823 0.344 . . . . 3.64 111.271 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -104.45 147.85 27.11 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.507 -0.553 . . . . 0.6 109.507 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.422 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 15.2 m-20 -90.47 99.1 12.19 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.416 -0.957 . . . . 1.77 108.416 175.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.74 176.07 2.32 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 113.866 -1.515 . . . . 0.5 108.44 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 18.0 mt-10 -99.94 89.22 3.99 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.796 -0.816 . . . . 1.77 108.796 173.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.6 p -86.66 138.61 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 121.291 0.567 . . . . 1.05 109.965 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -117.91 100.52 7.62 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.278 -0.874 . . . . 2.71 108.649 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -78.47 129.19 37.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.285 -0.566 . . . . 0.71 109.778 -176.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.457 ' HB2' HD23 ' A' ' 82' ' ' LEU . 5.6 mmp_? -130.34 137.2 49.8 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.19 -0.319 . . . . 2.63 110.291 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.625 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 13.9 t -102.9 138.2 40.1 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.547 -0.538 . . . . 0.64 109.547 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 27.6 m -130.18 166.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.375 -0.375 . . . . 1.34 110.707 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.7 p -138.01 -7.46 1.61 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.32 -0.4 . . . . 1.22 111.576 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -151.91 144.58 16.92 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 111.936 0.347 . . . . 0.93 111.936 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.564 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 50.9 Cg_exo -37.06 -51.83 1.42 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 124.506 3.471 . . . . 0.6 114.886 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.488 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 2.5 m-20 -58.81 -32.09 69.05 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.172 0.434 . . . . 2.04 112.172 -175.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.75 -40.61 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.733 0.302 . . . . 2.21 110.508 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -59.8 -50.99 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.012 -0.54 . . . . 0.48 110.875 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 47.2 pttt -69.25 -27.88 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 1.53 111.062 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -62.01 -48.21 81.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.394 . . . . 4.21 110.584 174.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -67.26 -33.54 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.99 111.692 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.3 mt -61.49 -41.88 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.917 0.389 . . . . 0.57 110.436 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.75 -41.7 87.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 2.66 110.713 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.8 -23.09 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.773 -0.649 . . . . 2.48 111.044 -178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -90.96 -49.16 6.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.315 -0.402 . . . . 1.43 111.891 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 p -60.64 -65.68 0.65 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.071 0.397 . . . . 1.31 112.071 -172.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--N 1.327 -0.412 0 C-N-CA 120.572 -0.451 . . . . 2.53 110.316 179.189 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.8 mmt . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.695 -0.483 . . . . 2.17 109.695 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.9 m -73.84 129.29 37.6 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.987 -0.375 . . . . 0.82 109.987 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.541 ' HB2' HD22 ' A' ' 47' ' ' LEU . 77.3 mt -106.76 123.58 48.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.196 0.522 . . . . 0.39 111.063 -174.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.458 ' CE2' HD12 ' A' ' 48' ' ' ILE . 49.5 m-85 -114.37 151.23 33.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.612 -0.722 . . . . 1.3 109.957 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.4 p -144.52 120.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.574 0.702 . . . . 1.08 110.747 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 58' ' ' LEU . 6.2 mp -104.04 159.55 15.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.489 -0.93 . . . . 1.18 108.489 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.772 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.3 tt -150.45 120.58 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 120.515 -0.474 . . . . 0.55 112.173 -177.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.5 mp -106.66 81.53 1.59 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.542 -0.54 . . . . 1.24 109.542 167.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.414 ' OG ' HD23 ' A' ' 34' ' ' LEU . 41.5 t -148.41 144.03 27.19 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.707 -0.679 . . . . 1.27 109.171 171.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.455 ' HA ' HD11 ' A' ' 35' ' ' ILE . 2.5 p30 -126.77 85.94 2.44 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.94 -1.104 . . . . 2.75 110.326 164.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.611 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 22.8 t70 -121.19 134.88 55.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.14 -1.391 . . . . 1.57 107.709 162.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -66.26 -30.31 70.72 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.934 0.346 . . . . 2.93 111.934 -174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -81.1 -49.47 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.828 0.347 . . . . 3.44 110.46 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.732 HD13 ' HA ' ' A' ' 111' ' ' PRO . 12.7 tp -57.43 -47.6 81.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.82 -0.627 . . . . 1.46 111.653 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 30' ' ' ASN . 64.5 mt -57.07 -40.86 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.549 0.214 . . . . 0.69 110.925 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 39.5 mt-10 -65.89 -54.97 19.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.818 -0.353 . . . . 2.15 111.178 178.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.61 -39.71 85.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.66 0.266 . . . . 2.05 111.062 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.59 89.63 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.153 -0.476 . . . . 0.51 110.689 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 40.5 ttt180 -67.33 -43.9 80.44 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.498 -0.319 . . . . 2.96 110.741 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.7 mttm -54.84 -42.14 71.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.473 0.178 . . . . 1.88 111.332 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.8 mmt -61.64 -55.77 27.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.78 0.324 . . . . 1.68 110.579 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -67.81 -29.54 68.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.957 -0.565 . . . . 0.49 111.729 -177.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 7.0 tp10 -63.04 -48.16 79.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.344 0.592 . . . . 2.41 109.56 -178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 5.2 mptp? -77.57 -24.93 49.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.47 -0.786 . . . . 3.63 110.912 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.46 -2.68 57.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.66 111.24 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 61.38 40.32 14.24 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.272 -0.876 . . . . 2.18 110.914 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 23' ' ' LEU . 29.8 mt -94.86 166.86 11.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.728 -0.669 . . . . 0.59 109.404 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.458 HD12 ' CE2' ' A' ' 24' ' ' PHE . 59.8 mt -101.46 95.05 3.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.142 0.496 . . . . 0.53 110.01 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 55.1 tp -87.94 135.06 33.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.513 -0.767 . . . . 1.14 110.269 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.8 mt -126.95 106.26 15.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.378 -0.373 . . . . 0.94 110.02 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.3 p -72.71 121.85 20.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.054 -0.521 . . . . 1.17 110.807 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 63.9 t -140.54 138.83 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.875 0.369 . . . . 1.38 111.241 -175.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -131.78 92.99 0.29 Allowed Glycine 0 N--CA 1.439 -1.165 0 C-N-CA 119.412 -1.375 . . . . 1.24 111.289 167.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 24.1 t70 164.95 150.57 0.02 OUTLIER 'General case' 0 C--O 1.232 0.178 0 C-N-CA 123.831 0.852 . . . . 1.98 109.154 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -63.77 -45.77 88.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.047 0.451 . . . . 2.21 112.022 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.685 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 44.8 mt-10 -83.51 -29.85 27.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.165 -0.47 . . . . 2.04 111.013 -174.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 36.1 mt-10 -65.09 -29.15 70.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.614 -0.434 . . . . 2.16 109.988 174.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 26' ' ' LEU . 54.5 tp -58.07 -45.11 87.66 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.185 -0.672 . . . . 0.83 109.185 172.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -62.14 -25.59 67.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 2.26 111.323 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 30.9 mmtp -83.16 -38.51 22.26 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.542 -0.754 . . . . 2.35 110.442 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.26 -36.39 79.35 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.39 -0.596 . . . . 0.47 109.39 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.453 ' CG2' ' HB2' ' A' ' 99' ' ' ALA . 85.8 mt -61.68 -49.79 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.379 -0.828 . . . . 0.83 110.493 174.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.59 -34.7 77.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 2.76 110.516 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.6 tttp -66.62 -48.9 68.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 2.11 110.305 177.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.03 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.149 0.499 . . . . 0.38 110.584 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.21 -36.42 75.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.341 -0.845 . . . . 1.36 110.446 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 18.2 t70 -70.16 -48.22 58.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.947 -0.569 . . . . 1.68 110.705 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 64' ' ' LYS . 70.2 mt -56.62 -44.86 81.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.771 -0.65 . . . . 0.51 110.967 -178.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -67.5 -56.64 8.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.696 -0.684 . . . . 0.53 111.879 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 100' ' ' ASP . 89.2 mttt -59.24 -31.22 68.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.798 1.036 . . . . 1.5 113.798 -170.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 52.2 mtmt . . . . . 0 C--N 1.319 -0.73 0 C-N-CA 120.249 -0.581 . . . . 2.71 110.078 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 109.902 -0.407 . . . . 0.71 109.902 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 48.8 mttp -102.57 119.72 39.31 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.557 -0.534 . . . . 1.67 109.557 176.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.467 ' HB ' HG23 ' A' ' 103' ' ' VAL . 58.2 mt -115.55 131.43 67.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.895 -0.593 . . . . 0.49 109.686 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 38.4 tp -108.1 120.85 43.51 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.595 -0.521 . . . . 1.4 109.595 176.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.1 mt -104.94 99.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.233 0.54 . . . . 0.38 109.877 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.772 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.9 tm? -91.82 133.04 36.0 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.681 -0.859 . . . . 1.61 108.681 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.493 ' N ' HD13 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -162.02 170.62 18.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.061 0.457 . . . . 1.17 111.603 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -112.43 103.35 11.45 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.038 -1.097 . . . . 2.04 108.038 168.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -173.63 141.05 0.86 Allowed Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.549 -0.751 . . . . 2.02 109.231 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.3 117.39 4.53 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.394 1.396 . . . . 0.85 110.383 170.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.75 128.53 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.442 0.639 . . . . 1.17 112.043 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -100.94 154.23 37.27 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.337 -0.847 . . . . 1.44 109.982 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.574 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 89.2 Cg_exo -42.61 -42.27 8.36 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.219 2.613 . . . . 1.14 113.479 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.8 -41.24 32.0 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.18 0.592 . . . . 2.43 111.656 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -73.05 -37.67 66.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 3.78 110.798 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.439 ' HB2' HG22 ' A' ' 105' ' ' VAL . 29.8 tt0 -63.99 -45.62 88.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.033 -0.531 . . . . 1.46 110.055 177.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 13.3 mmmm -66.15 -34.72 78.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.481 -0.782 . . . . 3.25 109.507 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.22 -50.3 74.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.869 -0.605 . . . . 2.44 110.431 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -70.77 -34.29 71.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.903 -0.59 . . . . 1.14 110.36 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -64.46 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.631 -0.713 . . . . 2.2 110.055 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 94.5 mttt -73.6 -30.28 62.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.512 -0.313 . . . . 2.87 111.776 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -72.88 -50.36 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.693 0.283 . . . . 3.64 111.296 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.453 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -95.37 146.12 24.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.698 -0.482 . . . . 0.6 109.698 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.426 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 4.7 m-20 -88.88 99.81 12.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.422 -0.955 . . . . 1.77 108.422 177.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -175.32 -172.66 0.59 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.306 -1.315 . . . . 0.5 108.878 -173.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.49 88.62 2.96 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.993 -0.743 . . . . 1.77 108.993 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.467 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.9 p -84.41 144.9 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.441 -0.8 . . . . 1.05 110.544 -175.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -121.76 108.49 13.56 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.001 -1.0 . . . . 2.71 108.764 175.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 92' ' ' GLU . 14.8 m -84.96 130.61 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 C-N-CA 119.862 -0.735 . . . . 0.71 109.241 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 106' ' ' ARG . 17.8 mmm180 -128.67 120.23 26.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.137 0.494 . . . . 2.63 111.196 -176.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 15.1 t -97.43 138.81 34.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.625 -0.716 . . . . 0.64 109.879 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.41 162.79 36.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.779 0.323 . . . . 1.34 111.192 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.8 p -124.74 -2.17 7.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 1.22 111.273 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.7 m -152.52 149.37 22.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 0.93 110.813 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.732 ' HA ' HD13 ' A' ' 34' ' ' LEU . 80.7 Cg_exo -47.02 -47.79 15.94 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.158 2.572 . . . . 0.6 113.336 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.74 -40.54 69.41 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.496 -0.775 . . . . 2.04 112.465 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.8 -49.39 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.998 0.428 . . . . 2.21 111.002 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.25 84.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.688 -0.687 . . . . 0.48 111.827 -174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -66.05 -28.39 68.81 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.711 -0.396 . . . . 1.53 110.541 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.4 -49.68 66.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.457 -0.338 . . . . 4.21 110.422 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -62.33 -43.74 98.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.99 110.493 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.15 -38.66 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.57 110.651 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.23 -48.67 74.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 2.66 110.476 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -64.19 -38.13 89.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 2.48 110.723 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.79 -25.39 68.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 1.43 110.796 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.494 ' OG ' HD11 ' A' ' 47' ' ' LEU . 16.6 m -95.49 -6.29 40.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.849 -0.614 . . . . 1.31 110.646 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.418 0.628 . . . . 2.53 110.033 -176.361 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.337 -0.246 . . . . 2.17 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 m -81.96 133.17 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.498 -0.481 . . . . 0.82 109.878 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.97 124.95 53.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.919 0.39 . . . . 0.39 110.829 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 81.3 m-85 -119.24 164.08 16.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.121 -0.49 . . . . 1.3 110.566 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.7 p -149.77 114.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.519 0.676 . . . . 1.08 110.802 174.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.538 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.7 mm? -92.88 157.28 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.327 -0.99 . . . . 1.18 108.327 173.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.1 tt -149.97 115.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.155 -0.618 . . . . 0.55 112.381 -174.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mp -106.48 77.58 1.21 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 108.751 -0.833 . . . . 1.24 108.751 165.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -149.73 87.08 1.47 Allowed 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 107.223 -1.399 . . . . 1.27 107.223 168.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -93.41 91.28 7.09 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.922 -1.111 . . . . 2.75 111.554 -170.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 23.4 t70 -117.72 142.38 47.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.027 -0.988 . . . . 1.57 109.261 165.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -57.89 -53.96 52.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 118.388 0.54 . . . . 2.93 111.269 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -69.14 -43.68 73.86 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.08 -0.509 . . . . 3.44 110.849 -175.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -57.36 -53.86 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.784 -0.644 . . . . 1.46 110.594 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.9 mt -51.52 -32.86 14.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.025 0.441 . . . . 0.69 111.213 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.6 mt-10 -77.06 -47.16 21.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.287 -0.415 . . . . 2.15 110.996 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.63 -37.55 86.76 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.059 0.457 . . . . 2.05 110.552 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.5 74.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.51 110.755 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 49.0 ttp180 -66.31 -46.32 77.31 Favored 'General case' 0 C--O 1.21 -1.009 0 C-N-CA 120.758 -0.377 . . . . 2.96 111.571 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 94.7 mttt -61.37 -30.18 70.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.883 0.373 . . . . 1.88 111.018 -176.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.7 tpt -76.08 -51.19 12.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.127 -0.488 . . . . 1.68 110.769 175.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -70.61 -28.67 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.348 -0.387 . . . . 0.49 111.805 -176.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 7.5 tp10 -62.49 -47.29 84.62 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.08 -0.711 . . . . 2.41 109.08 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -68.32 -25.1 64.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.019 -0.992 . . . . 3.63 111.3 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.08 1.76 34.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.087 -0.506 . . . . 0.66 110.926 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 62.86 29.89 16.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.486 -0.779 . . . . 2.18 110.907 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.413 HD12 HG23 ' A' ' 118' ' ' ILE . 72.4 mt -93.87 128.92 40.4 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.098 -0.705 . . . . 0.59 109.098 176.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.92 98.85 2.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.159 0.504 . . . . 0.53 109.871 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.426 ' HA ' HG13 ' A' ' 25' ' ' VAL . 34.3 tp -84.53 131.69 34.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.467 -0.788 . . . . 1.14 110.463 -178.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.538 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 65.3 mt -125.92 106.09 15.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.477 -0.564 . . . . 0.94 109.477 175.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 p -68.88 131.54 45.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.147 -0.479 . . . . 1.17 110.851 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.46 133.04 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.902 -0.59 . . . . 1.38 109.921 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -128.93 93.61 0.34 Allowed Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 119.252 -1.452 . . . . 1.24 112.507 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 24.2 t70 161.41 141.02 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.815 1.246 . . . . 1.98 107.65 174.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -70.64 -31.9 69.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.393 . . . . 2.21 110.856 -173.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.96 -39.63 49.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.142 -0.481 . . . . 2.04 109.822 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 14.1 mm-40 -73.48 -20.95 60.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.827 -0.624 . . . . 2.16 110.994 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 62' ' ' ILE . 56.3 tp -61.15 -42.38 98.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.468 -0.567 . . . . 0.83 109.468 172.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -63.31 -27.29 69.22 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.543 0.687 . . . . 2.26 110.802 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -76.85 -43.02 37.79 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.656 -1.156 . . . . 2.35 110.506 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.68 87.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 0.47 110.954 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 58' ' ' LEU . 61.5 mt -60.43 -43.15 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.09 0.471 . . . . 0.83 110.317 176.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.44 -39.35 94.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.787 -0.642 . . . . 2.76 110.542 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -61.05 -39.27 89.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.639 -0.71 . . . . 2.11 110.168 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.46 78.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.666 -0.697 . . . . 0.38 110.732 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -53.59 -43.03 68.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.162 0.506 . . . . 1.36 110.741 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.41 -39.68 88.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.229 -0.896 . . . . 1.68 111.431 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 63.9 mt -76.23 -44.3 36.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.348 . . . . 0.51 110.363 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.516 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -53.79 -53.88 46.15 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.53 111.493 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -68.92 -29.61 67.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.223 -0.899 . . . . 1.5 112.09 -174.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 tttm . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.13 -0.486 . . . . 2.71 110.774 -178.086 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 109.891 -0.411 . . . . 0.71 109.891 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -119.51 127.1 52.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.075 0.464 . . . . 1.67 109.996 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.415 ' HB ' HG23 ' A' ' 103' ' ' VAL . 63.3 mt -128.67 145.4 35.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.85 -0.614 . . . . 0.49 110.473 -173.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.9 tt -110.1 133.58 53.06 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.34 -0.985 . . . . 1.4 108.34 173.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.496 ' N ' HD23 ' A' ' 80' ' ' LEU . 82.6 mt -116.17 103.38 15.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.429 -0.582 . . . . 0.38 109.429 172.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.607 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 20.1 tp -101.71 107.46 18.69 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.63 -0.714 . . . . 1.61 110.023 -174.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -134.97 164.42 27.64 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.99 0.424 . . . . 1.17 111.962 -174.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 44.0 tt0 -103.2 103.14 13.16 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.19 -1.041 . . . . 2.04 108.19 169.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 57.9 mttm -170.12 162.71 6.47 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.586 -0.734 . . . . 2.02 109.762 -174.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -84.83 118.68 2.11 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.592 2.195 . . . . 0.85 110.638 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -117.75 122.49 69.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.775 -0.648 . . . . 1.17 111.266 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.1 m -100.52 156.72 34.89 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 115.919 -0.582 . . . . 1.44 109.678 173.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -44.98 -38.91 13.99 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.877 2.385 . . . . 1.14 113.239 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.61 -25.25 65.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 2.43 111.926 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.46 ' O ' ' HB3' ' A' ' 94' ' ' LYS . 42.0 t80 -76.37 -36.56 58.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.928 -0.397 . . . . 3.78 109.928 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.99 -47.98 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 1.46 110.183 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -70.15 -23.65 63.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 3.25 110.032 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 91' ' ' TYR . 5.1 tppp? -64.9 -51.93 59.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.249 -0.432 . . . . 2.44 109.892 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.5 -32.64 66.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.041 -0.527 . . . . 1.14 110.732 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.6 tm0? -69.23 -22.56 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 2.2 109.6 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -80.28 -28.11 38.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 2.87 111.485 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -71.87 -30.73 65.72 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.013 0.375 . . . . 3.64 112.013 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.59 142.45 51.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.714 -0.221 . . . . 0.6 110.471 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -79.16 99.75 7.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.636 0.731 . . . . 1.77 109.167 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.46 -175.06 0.63 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.425 -1.261 . . . . 0.5 108.977 -177.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 8.4 pt-20 -120.11 98.46 6.09 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.765 0.793 . . . . 1.77 108.941 168.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.415 HG23 ' HB ' ' A' ' 79' ' ' ILE . 9.5 p -95.54 141.34 15.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.512 -0.767 . . . . 1.05 110.861 -173.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -109.5 98.7 8.04 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.546 -0.909 . . . . 2.71 108.546 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.6 m -85.34 123.57 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.626 -0.429 . . . . 0.71 110.01 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -124.5 144.7 49.96 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.192 -0.318 . . . . 2.63 110.313 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 14.7 t -110.25 142.41 41.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.728 0.299 . . . . 0.64 110.533 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.3 m -135.5 151.7 30.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.87 0.367 . . . . 1.34 111.237 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.8 p -123.73 -14.74 7.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 1.22 111.194 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.6 m -137.26 143.12 40.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.935 -0.575 . . . . 0.93 110.055 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -52.94 -30.78 49.79 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.966 3.111 . . . . 0.6 114.562 -176.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -75.67 -27.74 58.44 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.819 -0.352 . . . . 2.04 111.444 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.45 -33.78 75.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.746 -0.464 . . . . 2.21 109.746 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.442 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -57.09 -52.08 66.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.495 -0.775 . . . . 0.48 110.596 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -62.81 -30.49 71.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 1.53 110.994 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -67.0 -44.09 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 4.21 110.514 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -70.48 -33.52 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.99 110.77 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 114' ' ' ALA . 91.0 mt -60.35 -47.27 93.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.57 110.649 177.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.19 -36.17 79.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 2.66 110.747 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -64.82 -52.74 55.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 2.48 110.307 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.48 -39.67 85.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 1.43 111.78 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.4 p -75.09 -18.12 60.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.739 0.304 . . . . 1.31 111.482 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.445 -0.343 . . . . 2.53 110.717 -179.288 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.724 0.297 . . . . 2.17 110.481 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.414 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 25.0 m -130.45 144.09 51.18 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.37 -0.604 . . . . 0.82 109.37 176.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HB2' HD22 ' A' ' 47' ' ' LEU . 80.5 mt -105.12 107.51 18.54 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.391 0.615 . . . . 0.39 110.347 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CE2' HD12 ' A' ' 48' ' ' ILE . 65.5 m-85 -98.31 145.04 27.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.467 -0.788 . . . . 1.3 109.609 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.9 p -138.06 123.34 24.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.497 0.665 . . . . 1.08 110.822 176.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -110.1 160.63 16.3 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.855 -1.165 . . . . 1.18 107.855 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.407 HD11 HD22 ' A' ' 34' ' ' LEU . 9.0 tt -150.19 112.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 C-N-CA 120.537 -0.465 . . . . 0.55 111.182 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 52' ' ' VAL . 1.5 tp -96.79 77.97 2.86 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.29 -1.004 . . . . 1.24 108.29 172.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -150.44 89.94 1.61 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.725 -1.125 . . . . 1.27 109.694 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.09 87.2 5.47 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.721 -1.191 . . . . 2.75 110.57 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 30.6 t70 -119.42 163.6 16.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.295 -1.32 . . . . 1.57 108.23 169.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -88.69 -32.62 17.9 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.865 -0.734 . . . . 2.93 110.901 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -90.42 -42.58 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.695 0.283 . . . . 3.44 110.829 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 1.5 tt -56.87 -47.92 79.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.873 -0.603 . . . . 1.46 110.077 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -59.35 -44.73 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.544 . . . . 0.69 111.079 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 6.8 mm-40 -61.89 -54.09 46.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.596 -0.274 . . . . 2.15 111.649 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -63.49 -33.15 74.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.64 0.257 . . . . 2.05 111.437 -177.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -45.61 70.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.72 0.295 . . . . 0.51 110.761 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -67.18 -39.25 86.4 Favored 'General case' 0 C--O 1.214 -0.767 0 C-N-CA 120.665 -0.414 . . . . 2.96 111.073 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.4 mttm -55.68 -36.17 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.859 0.361 . . . . 1.88 110.998 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -53.11 8.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.299 -0.41 . . . . 1.68 111.35 176.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.18 79.41 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.381 0.511 . . . . 0.49 112.381 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.33 -43.53 90.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.22 0.533 . . . . 2.41 109.692 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -72.06 -27.97 63.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.725 -0.67 . . . . 3.63 110.355 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.7 -0.69 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.64 -0.709 . . . . 0.66 110.859 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 62.53 35.6 14.46 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.487 -0.779 . . . . 2.18 111.017 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.433 HD22 ' HB2' ' A' ' 23' ' ' LEU . 17.9 mt -92.7 154.11 18.53 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.456 -0.572 . . . . 0.59 109.456 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.43 HD12 ' CE2' ' A' ' 24' ' ' PHE . 42.7 mt -90.75 94.93 5.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.531 -0.544 . . . . 0.53 109.531 175.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 51.8 tp -87.37 118.37 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.353 -0.84 . . . . 1.14 110.832 -178.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.5 mt -110.12 100.0 9.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.188 -0.671 . . . . 0.94 109.188 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.6 m -82.71 117.37 22.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.875 -0.602 . . . . 1.17 110.913 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.501 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 3.1 m -136.08 141.42 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.732 -0.667 . . . . 1.38 110.092 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -126.83 94.2 0.41 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 119.626 -1.273 . . . . 1.24 111.947 175.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 22.4 t70 156.24 150.96 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.694 1.197 . . . . 1.98 108.436 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.75 -36.16 82.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.751 0.31 . . . . 2.21 110.996 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -80.07 -29.08 39.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.858 0.361 . . . . 2.04 110.338 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.501 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 27.7 mm-40 -64.92 -35.67 81.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.928 -0.578 . . . . 2.16 110.136 174.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.66 -35.8 81.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.288 -0.415 . . . . 0.83 110.187 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -57.41 -28.13 62.99 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.143 0.497 . . . . 2.26 111.377 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -90.2 -40.56 12.12 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.626 -0.715 . . . . 2.35 110.914 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.38 86.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.106 0.479 . . . . 0.47 110.313 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.7 mt -59.57 -47.84 89.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.48 -0.782 . . . . 0.83 110.931 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -68.11 -33.9 75.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.134 -0.484 . . . . 2.76 111.309 -175.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.1 ttpp -72.9 -38.53 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 2.11 110.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.6 91.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.087 0.47 . . . . 0.38 110.424 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.54 -44.3 80.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.345 -0.843 . . . . 1.36 111.042 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.01 -43.76 82.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.554 -0.748 . . . . 1.68 111.692 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 64' ' ' LYS . 61.3 mt -63.49 -40.21 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.009 0.433 . . . . 0.51 110.975 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.429 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -62.36 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.677 -0.692 . . . . 0.53 112.015 -174.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -72.63 -9.8 59.03 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.44 0.533 . . . . 1.5 112.44 -172.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.9 tttt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 123.668 0.605 . . . . 2.71 110.925 178.005 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.359 0 CA-C-O 120.932 0.396 . . . . 0.71 110.862 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -120.69 125.24 47.17 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.057 -0.72 . . . . 1.67 109.057 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 49.1 mt -120.59 146.67 25.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.086 -0.507 . . . . 0.49 110.008 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.4 tt -120.0 129.52 54.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.624 -0.88 . . . . 1.4 108.624 175.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.605 HG22 HD22 ' A' ' 83' ' ' LEU . 96.8 mt -117.78 113.27 41.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.831 0.348 . . . . 0.38 110.091 174.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD13 ' HB1' ' A' ' 114' ' ' ALA . 69.0 mt -92.51 101.41 13.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.875 -0.602 . . . . 1.61 109.56 176.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.605 HD22 HG22 ' A' ' 81' ' ' ILE . 1.5 pt? -123.44 139.2 54.26 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.912 -0.315 . . . . 1.17 111.021 -175.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -94.86 98.59 10.84 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 119.643 -0.823 . . . . 2.04 109.285 173.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -176.53 168.79 1.31 Allowed Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 114.765 -1.107 . . . . 2.02 108.028 170.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -76.45 122.67 6.63 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.062 1.841 . . . . 0.85 110.917 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.1 t -105.03 120.13 55.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.605 -0.725 . . . . 1.17 110.817 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.4 m -91.5 158.7 40.27 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.15 -0.477 . . . . 1.44 110.055 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -49.7 -49.59 15.45 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.732 2.288 . . . . 1.14 112.459 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.693 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 4.8 mp0 -58.33 -38.81 77.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.954 -0.567 . . . . 2.43 111.395 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.45 -40.53 87.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.389 . . . . 3.78 110.166 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.82 -55.74 31.18 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.754 -0.657 . . . . 1.46 110.969 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 19.9 ptmt -70.26 -17.76 63.12 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.744 -0.662 . . . . 3.25 111.643 -174.026 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.693 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 34.4 mmtp -66.46 -48.61 69.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.157 0.503 . . . . 2.44 109.72 172.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.4 mt -72.38 -36.53 68.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 1.14 110.118 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.461 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 28.9 tt0 -69.98 -27.98 65.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.319 -0.855 . . . . 2.2 110.736 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -82.14 -30.75 30.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 2.87 111.027 174.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.56 -50.02 75.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.094 -0.503 . . . . 3.64 110.27 -177.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.52 121.95 46.04 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.933 -0.765 . . . . 0.6 108.933 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.83 101.15 3.66 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.525 -0.87 . . . . 1.77 109.291 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.82 -168.16 0.34 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.047 -1.433 . . . . 0.5 108.423 -176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -114.69 89.93 3.22 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.69 -0.485 . . . . 1.77 109.69 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 9.0 p -87.86 131.92 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.335 0.588 . . . . 1.05 110.301 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -104.62 99.29 8.96 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.715 -0.846 . . . . 2.71 108.715 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.8 m -77.56 130.05 36.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.166 0.507 . . . . 0.71 110.058 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' HB2' HD23 ' A' ' 82' ' ' LEU . 35.6 mmt180 -127.18 126.66 43.21 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.256 -0.429 . . . . 2.63 110.809 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 10.1 t -86.62 127.07 34.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 0.64 109.918 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.1 m -127.84 156.94 40.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.235 -0.438 . . . . 1.34 110.567 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 -20.49 1.87 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.281 -0.418 . . . . 1.22 110.866 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.5 m -143.71 147.91 40.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.605 -0.27 . . . . 0.93 111.481 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -46.41 -44.49 20.54 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.552 2.834 . . . . 0.6 114.272 -173.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.553 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -59.08 -31.68 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.425 0.528 . . . . 2.04 112.425 -174.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.39 -45.95 74.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.046 0.451 . . . . 2.21 109.943 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.502 ' HB1' HD13 ' A' ' 82' ' ' LEU . . . -58.76 -43.91 90.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.418 -0.81 . . . . 0.48 111.301 -178.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.553 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 55.5 mtmt -59.31 -35.01 73.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 1.53 111.18 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 112' ' ' ASP . 96.3 mtt180 -67.32 -47.03 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 4.21 110.853 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -63.71 -42.92 97.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.99 110.826 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.35 -42.79 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.446 . . . . 0.57 110.471 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.8 -47.2 86.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.728 -0.669 . . . . 2.66 110.914 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.28 -35.38 73.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.731 0.301 . . . . 2.48 111.338 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.41 ' CB ' HD12 ' A' ' 80' ' ' LEU . 59.0 t80 -68.42 -26.19 65.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 1.43 111.324 -176.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.7 t -78.03 -2.99 39.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.836 0.35 . . . . 1.31 110.473 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 2.53 110.998 -179.781 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.829 0.347 . . . . 2.17 110.643 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 m -91.2 147.64 22.92 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.954 -0.758 . . . . 0.82 108.954 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 121' ' ' PHE . 60.2 mt -109.43 118.6 37.06 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.351 0.596 . . . . 0.39 111.569 -173.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 79' ' ' ILE . 49.7 m-85 -112.57 145.83 39.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.346 -0.843 . . . . 1.3 109.607 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 p -145.16 130.52 13.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-O 121.635 0.731 . . . . 1.08 111.192 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 58' ' ' LEU . 6.8 mp -102.87 159.78 15.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.644 -1.162 . . . . 1.18 109.508 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.9 tt -141.92 119.84 8.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.011 0.434 . . . . 0.55 110.815 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -118.63 77.47 1.18 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.328 -0.99 . . . . 1.24 108.328 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -149.12 88.94 1.62 Allowed 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.254 -1.387 . . . . 1.27 107.254 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -85.48 89.24 7.64 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 118.172 -1.411 . . . . 2.75 111.045 -169.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.617 ' OD2' ' HG2' ' A' ' 33' ' ' LYS . 6.0 t70 -117.42 138.79 51.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.667 -1.151 . . . . 1.57 108.152 162.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -54.76 -47.49 73.81 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.528 0.566 . . . . 2.93 112.528 -172.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.617 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 63.2 pttt -78.43 -31.15 47.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.922 0.391 . . . . 3.44 110.679 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.774 HD13 ' HA ' ' A' ' 111' ' ' PRO . 12.2 tp -66.32 -42.44 88.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.344 -0.389 . . . . 1.46 110.623 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.405 HG23 HG21 ' A' ' 51' ' ' THR . 45.0 mt -60.53 -40.49 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.69 111.579 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.6 pt-20 -77.2 -44.7 29.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.44 -0.504 . . . . 2.15 111.194 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.626 ' HA ' ' CG ' ' A' ' 40' ' ' LYS . 37.3 mm-40 -65.82 -30.34 70.95 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.945 0.35 . . . . 2.05 111.945 -176.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.63 96.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.945 0.402 . . . . 0.51 110.005 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -74.33 -34.56 63.47 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.271 -0.422 . . . . 2.96 110.685 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 33.0 mmtp -52.68 -42.76 65.05 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.533 0.682 . . . . 1.88 109.383 176.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 tpt -72.26 -52.5 16.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.802 -1.09 . . . . 1.68 111.492 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.28 -37.11 53.59 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.624 0.602 . . . . 0.49 112.624 -172.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.24 -46.6 86.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.272 0.558 . . . . 2.41 109.562 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -65.82 -28.87 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.5 -0.773 . . . . 3.63 110.249 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.18 -0.28 39.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.66 111.122 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 67.36 34.3 4.87 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.723 -0.672 . . . . 2.18 111.258 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -102.16 166.06 10.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.985 -0.746 . . . . 0.59 108.985 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -98.62 96.72 5.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.171 0.51 . . . . 0.53 109.752 174.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' CD1' HG23 ' A' ' 51' ' ' THR . 3.3 tm? -87.03 123.09 31.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.4 -0.818 . . . . 1.14 109.501 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.8 mt -113.71 114.53 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.94 110.57 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.405 HG21 HG23 ' A' ' 35' ' ' ILE . 7.6 p -93.99 125.83 38.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.193 -0.458 . . . . 1.17 111.091 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.6 m -134.52 146.82 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.42 -0.355 . . . . 1.38 110.508 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -122.57 94.48 0.52 Allowed Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.959 -1.115 . . . . 1.24 111.619 173.13 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 15.7 t70 140.78 141.82 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.207 1.803 . . . . 1.98 107.505 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -72.39 -22.14 61.17 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.877 0.37 . . . . 2.21 111.149 -173.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 10.5 mm-40 -83.74 -27.81 28.65 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.713 -0.477 . . . . 2.04 109.713 177.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -31.49 70.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 2.16 109.885 170.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.539 ' O ' HG13 ' A' ' 62' ' ' ILE . 23.9 tp -61.07 -40.37 93.42 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.83 109.591 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 43.1 mmtm -56.96 -33.16 66.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.466 0.651 . . . . 2.26 110.714 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.3 mmmt -79.69 -39.15 31.93 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.931 -1.032 . . . . 2.35 110.624 -176.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.02 81.25 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.47 110.106 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 58' ' ' LEU . 98.8 mt -60.36 -52.68 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 0.83 110.624 176.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 62.4 tttm -69.76 -32.19 70.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.495 -0.32 . . . . 2.76 110.633 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 68' ' ' ILE . 38.9 ttpt -64.62 -41.26 96.31 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.164 -0.31 . . . . 2.11 110.164 177.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.29 98.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.918 0.39 . . . . 0.38 109.975 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.506 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 9.0 t70 -54.81 -52.94 61.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.362 -0.836 . . . . 1.36 110.474 174.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.77 -47.63 84.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.578 -0.737 . . . . 1.68 112.105 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 64' ' ' LYS . 75.3 mt -66.97 -36.05 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.82 0.343 . . . . 0.51 111.128 -177.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.04 -63.62 1.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 0.53 111.767 -176.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 14.3 ptpt -69.75 -10.81 59.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.651 0.611 . . . . 1.5 112.651 -173.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 123.931 0.77 . . . . 2.71 110.406 -177.541 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 121.132 0.492 . . . . 0.71 111.846 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -106.07 122.94 47.2 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.206 -1.035 . . . . 1.67 108.206 169.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 41.8 mt -127.62 134.16 66.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 110.127 -0.323 . . . . 0.49 110.127 -177.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.447 HD13 ' CG ' ' A' ' 121' ' ' PHE . 7.4 mp -109.91 139.79 44.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.799 0.333 . . . . 1.4 110.287 171.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.517 HG22 HD22 ' A' ' 83' ' ' LEU . 82.5 mt -116.82 106.22 19.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 108.677 -0.86 . . . . 0.38 108.677 172.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -91.0 98.71 11.94 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.604 -0.517 . . . . 1.61 109.604 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.627 ' H ' HD23 ' A' ' 83' ' ' LEU . 1.5 pt? -128.13 147.22 50.54 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.177 -0.465 . . . . 1.17 110.756 -174.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -97.86 98.53 9.9 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 119.604 -0.838 . . . . 2.04 109.829 174.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -174.62 163.94 2.52 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 114.63 -1.168 . . . . 2.02 108.851 170.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.84 119.42 6.45 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.215 1.943 . . . . 0.85 111.23 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.424 HG22 ' HB ' ' A' ' 107' ' ' THR . 28.4 m -131.07 120.37 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 1.17 111.47 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -88.5 153.07 50.39 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.529 -0.76 . . . . 1.44 109.911 176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.44 -30.12 62.3 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.317 2.011 . . . . 1.14 111.355 171.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -68.06 -40.31 82.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.578 -0.737 . . . . 2.43 109.654 175.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -67.63 -39.51 84.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.173 -0.921 . . . . 3.78 109.868 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.2 -38.04 75.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.843 -0.617 . . . . 1.46 110.728 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -59.59 -29.4 67.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.374 -0.376 . . . . 3.25 111.293 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -64.18 -46.04 85.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.066 0.46 . . . . 2.44 110.214 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.5 -33.36 36.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.947 -0.57 . . . . 1.14 110.589 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.412 ' HB2' HG12 ' A' ' 103' ' ' VAL . 10.0 tt0 -68.85 -30.8 69.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.569 . . . . 2.2 110.272 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -81.7 -26.18 34.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.09 -0.504 . . . . 2.87 110.822 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -68.31 -50.7 51.66 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.34 0.59 . . . . 3.64 110.273 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -108.14 119.31 39.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.405 -0.961 . . . . 0.6 108.405 173.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -76.14 103.03 5.98 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 122.024 0.916 . . . . 1.77 110.077 -173.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -173.77 -168.31 0.42 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 113.481 -1.691 . . . . 0.5 106.954 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -109.38 89.11 2.9 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 109.183 -0.673 . . . . 1.77 109.183 172.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.603 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.8 p -87.4 137.33 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.411 0.624 . . . . 1.05 109.713 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -120.75 99.38 6.5 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.171 -0.922 . . . . 2.71 108.623 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.52 128.17 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 109.61 -0.515 . . . . 0.71 109.61 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 106' ' ' ARG . 4.4 mmp_? -117.12 117.23 29.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.417 -0.356 . . . . 2.63 110.177 -176.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 3.9 t -85.36 99.54 11.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.739 0.78 . . . . 0.64 110.191 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.57 151.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.483 -0.781 . . . . 1.34 111.082 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -133.59 3.55 3.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.374 0.607 . . . . 1.22 110.309 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.0 m -155.36 148.71 18.48 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.753 -0.658 . . . . 0.93 109.462 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.774 ' HA ' HD13 ' A' ' 34' ' ' LEU . 23.0 Cg_exo -64.97 -25.3 59.53 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.018 2.478 . . . . 0.6 113.323 -175.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -78.28 -31.49 49.01 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.99 -0.284 . . . . 2.04 111.243 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.69 -42.94 98.15 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.773 -0.455 . . . . 2.21 109.773 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.58 -51.67 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.426 -0.806 . . . . 0.48 111.134 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.16 -36.61 82.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.986 -0.552 . . . . 1.53 110.809 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -68.33 -41.52 80.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 4.21 111.194 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -67.65 -40.85 84.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.677 0.275 . . . . 0.99 110.762 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.36 -39.8 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 0.57 109.961 174.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -58.95 -46.84 87.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.783 -0.644 . . . . 2.66 111.23 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -70.1 -27.5 64.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.238 0.542 . . . . 2.48 110.426 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 23' ' ' LEU . 11.2 t80 -75.86 -44.95 38.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.672 -0.695 . . . . 1.43 111.621 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.6 m -66.32 -26.53 67.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.25 -0.432 . . . . 1.31 111.787 -174.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.477 -0.329 . . . . 2.53 111.101 -176.099 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.698 0.285 . . . . 2.17 110.292 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -113.27 134.33 54.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.596 -0.274 . . . . 0.82 110.292 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HB2' HD22 ' A' ' 47' ' ' LEU . 86.4 mt -114.58 119.16 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.062 0.458 . . . . 0.39 110.616 -177.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 47.4 m-85 -104.31 152.27 22.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.075 -0.511 . . . . 1.3 110.163 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.6 p -142.09 122.81 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.661 0.743 . . . . 1.08 110.811 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 58' ' ' LEU . 7.4 mp -111.39 158.93 18.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.159 -0.928 . . . . 1.18 108.762 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.9 tt -150.51 112.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 C-N-CA 120.85 -0.34 . . . . 0.55 111.194 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD11 HD22 ' A' ' 58' ' ' LEU . 26.9 mt -92.99 79.38 4.61 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.416 -0.957 . . . . 1.24 108.416 173.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 m -150.28 138.86 20.64 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.058 -0.973 . . . . 1.27 109.721 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -119.17 86.11 2.49 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.453 -1.299 . . . . 2.75 109.743 165.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.3 t70 -120.19 141.38 49.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.602 -1.181 . . . . 1.57 109.311 168.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -60.8 -55.44 33.09 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 118.377 0.535 . . . . 2.93 111.673 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 87.8 tttt -70.58 -46.81 62.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.464 . . . . 3.44 111.417 -173.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 111' ' ' PRO . 18.4 tp -57.15 -41.99 80.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 1.46 111.872 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mt -61.29 -33.35 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.875 0.369 . . . . 0.69 110.931 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 42.2 mt-10 -74.48 -47.79 31.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.364 -0.38 . . . . 2.15 110.067 174.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG3' ' HB3' ' A' ' 111' ' ' PRO . 32.9 mm-40 -55.95 -41.0 74.03 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.247 -0.433 . . . . 2.05 111.336 -178.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.52 -47.77 84.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.866 -0.606 . . . . 0.51 110.91 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -69.88 -36.76 75.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.41 -0.359 . . . . 2.96 110.936 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.2 mttm -51.9 -40.46 60.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 1.88 110.873 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.2 mmm -83.9 -45.98 12.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 1.68 111.383 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.06 72.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.205 0.446 . . . . 0.49 112.205 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.52 -46.43 86.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.448 -0.945 . . . . 2.41 108.448 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.69 -35.09 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.095 -0.957 . . . . 3.63 110.788 177.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -79.89 -5.0 54.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.881 -0.6 . . . . 0.66 111.229 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 62.61 45.06 6.34 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.282 -0.872 . . . . 2.18 110.365 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD22 ' HB2' ' A' ' 23' ' ' LEU . 19.1 mt -100.98 168.75 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.221 -0.899 . . . . 0.59 109.534 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.455 HD12 ' CE1' ' A' ' 24' ' ' PHE . 50.7 mt -100.82 104.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.872 -0.418 . . . . 0.53 109.872 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 41.1 tp -95.94 124.05 39.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.019 -0.537 . . . . 1.14 111.186 -176.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.49 109.9 27.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.477 -0.564 . . . . 0.94 109.477 173.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 m -89.66 101.1 13.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.06 -0.518 . . . . 1.17 110.948 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 7.6 m -122.78 141.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.954 -0.566 . . . . 1.38 110.255 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.607 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -120.53 96.17 0.6 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 119.874 -1.155 . . . . 1.24 112.219 177.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 16.4 t70 155.51 151.48 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.734 1.214 . . . . 1.98 108.417 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -71.81 -28.36 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 2.21 110.715 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 29.3 mm-40 -86.51 -34.41 20.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.897 -0.409 . . . . 2.04 109.897 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 22.1 mm-40 -64.13 -32.01 73.41 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.817 -0.438 . . . . 2.16 109.817 173.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.515 HD12 HD23 ' A' ' 26' ' ' LEU . 53.3 tp -55.58 -45.46 77.35 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.339 -0.615 . . . . 0.83 109.339 172.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.39 -18.13 64.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.528 -0.76 . . . . 2.26 111.85 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 64.5 mmtt -90.2 -37.03 14.42 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.781 -0.645 . . . . 2.35 110.439 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.81 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.098 -0.705 . . . . 0.47 109.098 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.671 HG23 ' HB2' ' A' ' 99' ' ' ALA . 40.5 mt -59.76 -41.87 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.924 -1.034 . . . . 0.83 110.554 173.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -60.13 -46.1 90.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 2.76 111.123 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' HG13 ' A' ' 68' ' ' ILE . 18.3 ptpt -73.71 -33.93 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.923 -0.311 . . . . 2.11 110.87 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.77 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.38 110.429 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.625 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 1.4 t70 -59.47 -41.03 88.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.384 -0.826 . . . . 1.36 110.515 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.3 -49.79 65.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 1.68 111.656 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 64' ' ' LYS . 96.1 mt -60.51 -46.0 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.51 110.923 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.598 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -63.15 -56.74 14.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.53 111.635 -177.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HD2' ' HB2' ' A' ' 100' ' ' ASP . 49.8 mtpt -76.73 -12.78 60.04 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 112.691 0.626 . . . . 1.5 112.691 -170.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? . . . . . 0 C--N 1.313 -0.987 0 N-CA-C 109.102 -0.703 . . . . 2.71 109.102 173.874 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.353 -0.239 . . . . 0.71 110.353 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.517 ' HE2' ' OE1' ' A' ' 102' ' ' GLU . 89.1 mttt -135.42 143.26 45.87 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.198 -0.297 . . . . 1.67 110.198 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.485 ' HB ' HG22 ' A' ' 103' ' ' VAL . 62.4 mt -131.09 117.82 38.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.299 -0.41 . . . . 0.49 110.138 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 104' ' ' ARG . 33.0 tp -95.3 112.49 24.19 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.87 -0.418 . . . . 1.4 109.87 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.642 HG22 HD22 ' A' ' 83' ' ' LEU . 73.2 mt -102.08 117.6 47.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.596 -0.441 . . . . 0.38 109.835 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 82.3 mt -101.43 119.34 38.61 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.681 -0.489 . . . . 1.61 109.681 175.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -139.98 138.95 35.93 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.421 -0.354 . . . . 1.17 110.178 -177.695 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -87.06 98.04 11.06 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.393 -0.923 . . . . 2.04 109.485 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -176.21 162.01 1.86 Allowed Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 114.658 -1.156 . . . . 2.02 108.021 168.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -63.3 119.29 6.3 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 121.3 1.334 . . . . 0.85 109.811 167.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 m -99.2 141.74 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.268 0.556 . . . . 1.17 111.629 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.9 m -95.03 127.48 42.67 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.424 -0.807 . . . . 1.44 109.694 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -58.33 -30.49 91.25 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.141 2.561 . . . . 1.14 112.834 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.07 -36.06 72.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.047 0.451 . . . . 2.43 110.288 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -67.25 -28.68 68.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.816 -0.629 . . . . 3.78 110.152 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.51 -38.65 91.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 1.46 110.44 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -72.48 -33.45 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.24 -0.652 . . . . 3.25 109.24 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.568 ' HE3' ' OH ' ' A' ' 98' ' ' TYR . 59.0 tttp -65.66 -33.67 76.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.19 -0.913 . . . . 2.44 109.932 176.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.572 HD12 HG11 ' A' ' 105' ' ' VAL . 78.7 mt -75.94 -42.91 47.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.14 111.633 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.56 HE21 ' C ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -77.06 -4.08 42.46 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.591 -0.843 . . . . 2.2 110.208 174.384 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -80.69 -28.74 36.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 2.87 110.159 169.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.568 ' OH ' ' HE3' ' A' ' 94' ' ' LYS . 19.5 m-85 -75.52 -51.08 13.78 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.178 0.513 . . . . 3.64 110.299 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 62' ' ' ILE . . . -108.68 131.8 54.56 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 115.717 -0.674 . . . . 0.6 109.468 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.559 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 13.2 m-20 -83.06 99.67 10.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.388 1.089 . . . . 1.77 109.553 -177.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -173.93 173.61 3.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 112.662 -2.063 . . . . 0.5 106.378 176.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.517 ' OE1' ' HE2' ' A' ' 78' ' ' LYS . 6.5 mt-10 -87.58 91.1 8.62 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 118.884 -1.127 . . . . 1.77 108.608 173.207 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.551 ' H ' ' HB3' ' A' ' 96' ' ' GLN . 40.7 t -81.07 114.93 22.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.507 -0.769 . . . . 1.05 109.895 -178.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.473 ' O ' HD12 ' A' ' 80' ' ' LEU . 33.0 mtp180 -108.77 110.83 22.31 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.531 -0.914 . . . . 2.71 108.531 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.572 HG11 HD12 ' A' ' 95' ' ' LEU . 5.1 m -106.01 126.38 61.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.41 0.624 . . . . 0.71 110.646 -172.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 49.4 mmt-85 -125.29 147.95 48.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.857 -0.61 . . . . 2.63 110.96 -174.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.649 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 14.5 t -86.42 136.48 33.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.746 -0.661 . . . . 0.64 110.168 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 p -127.05 109.26 20.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.234 0.54 . . . . 1.34 111.034 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -100.39 -17.99 16.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.046 -0.525 . . . . 1.22 111.397 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.7 m -138.34 151.61 69.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.446 . . . . 0.93 110.767 -177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.689 ' HA ' HD13 ' A' ' 34' ' ' LEU . 72.7 Cg_exo -49.21 -44.92 31.84 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.612 2.208 . . . . 0.6 112.413 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.524 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 14.5 t70 -59.37 -40.22 85.81 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.838 -0.619 . . . . 2.04 111.667 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -55.11 -44.61 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.347 0.404 . . . . 2.21 111.294 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.34 98.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.48 110.79 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -62.02 -30.79 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 1.53 110.734 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 112' ' ' ASP . 23.4 mmt180 -68.79 -54.57 15.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 4.21 110.656 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -63.44 -37.08 85.89 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.174 -0.467 . . . . 0.99 111.394 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.42 -41.86 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.57 110.489 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -60.73 -46.73 89.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 2.66 110.02 178.162 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.24 -45.05 96.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.666 -0.697 . . . . 2.48 110.588 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 56.7 t80 -61.75 -37.76 85.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.627 -0.715 . . . . 1.43 111.432 -176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.6 t -69.55 -20.84 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.238 -0.437 . . . . 1.31 110.966 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 119' ' ' LYS . 57.1 mm-40 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.316 . . . . 2.53 110.714 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.527 0.204 . . . . 2.17 110.591 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.4 m -125.46 146.95 49.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.144 -0.687 . . . . 0.82 109.144 172.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' CB ' HD22 ' A' ' 47' ' ' LEU . 84.5 mt -110.08 114.93 28.85 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.234 0.54 . . . . 0.39 111.075 -176.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CE1' HD12 ' A' ' 48' ' ' ILE . 52.5 m-85 -111.17 157.94 19.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.65 -0.705 . . . . 1.3 109.712 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.6 p -148.17 120.12 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.506 0.669 . . . . 1.08 111.371 176.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.57 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -103.14 163.53 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.242 -0.89 . . . . 1.18 108.917 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.549 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.7 tt -149.9 126.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 121.153 -0.219 . . . . 0.55 111.576 -178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD11 HD13 ' A' ' 58' ' ' LEU . 6.7 mp -112.89 80.46 1.35 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.319 0.581 . . . . 1.24 109.499 172.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -150.53 115.84 5.41 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.268 -1.012 . . . . 1.27 108.268 171.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.52 86.75 7.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 117.588 -1.645 . . . . 2.75 110.08 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.645 ' O ' HD13 ' A' ' 35' ' ' ILE . 22.8 t70 -120.75 163.84 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 113.985 -1.461 . . . . 1.57 108.206 166.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 43.2 mttm -91.29 -40.68 11.36 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.935 -0.706 . . . . 2.93 111.453 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -37.72 21.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.515 -0.311 . . . . 3.44 111.238 -174.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.04 -37.18 73.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.97 0.414 . . . . 1.46 110.039 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.645 HD13 ' O ' ' A' ' 31' ' ' ASP . 1.7 mp -64.98 -43.71 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.834 -0.621 . . . . 0.69 110.618 177.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 54.6 mt-10 -65.09 -49.02 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 2.15 110.573 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -54.98 -41.97 71.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 2.05 111.142 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.68 72.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.546 . . . . 0.51 111.028 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 58.9 ttt180 -72.46 -29.85 64.04 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 111.918 0.34 . . . . 2.96 111.918 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 67.5 mttm -64.31 -32.7 74.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.918 -0.489 . . . . 1.88 110.658 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.2 mmt -81.63 -46.57 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 1.68 110.625 174.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -64.1 -39.45 94.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 0.49 112.084 -178.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 10.1 mt-10 -60.86 -43.18 98.71 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.34 0.59 . . . . 2.41 109.794 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.29 -35.3 79.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.185 -0.916 . . . . 3.63 110.226 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -82.21 0.75 39.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.986 -0.552 . . . . 0.66 111.721 -178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.4 t30 64.81 36.41 7.95 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.583 0.706 . . . . 2.18 110.743 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.452 HD22 ' CB ' ' A' ' 23' ' ' LEU . 12.6 mt -99.87 168.61 9.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.791 -0.64 . . . . 0.59 109.964 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 24' ' ' PHE . 44.3 mt -106.36 101.57 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.142 -0.481 . . . . 0.53 109.913 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.512 ' HA ' HG13 ' A' ' 25' ' ' VAL . 3.5 tm? -90.54 118.3 29.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.849 -0.614 . . . . 1.14 110.241 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.57 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 63.5 mt -121.39 120.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.164 -0.471 . . . . 0.94 110.343 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.2 p -82.53 130.75 35.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.088 -0.506 . . . . 1.17 110.108 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.72 157.08 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.222 0.534 . . . . 1.38 111.891 -173.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.1 -164.38 37.24 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.183 -0.917 . . . . 1.24 112.883 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -44.16 166.69 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.516 1.302 . . . . 1.98 114.516 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 58' ' ' LEU . 30.5 mt-10 -39.77 -45.35 1.73 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.157 1.169 . . . . 2.21 114.157 -173.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 8.1 mm-40 -64.64 -40.09 94.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.125 0.488 . . . . 2.04 111.108 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.29 -35.22 75.8 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.482 -0.562 . . . . 2.16 109.482 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.545 HD13 HD11 ' A' ' 28' ' ' LEU . 51.4 tp -57.97 -37.17 73.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.624 -0.716 . . . . 0.83 110.518 174.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 52.8 mttp -53.01 -36.69 60.77 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.602 0.715 . . . . 2.26 110.925 176.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 45.7 mttp -82.95 -35.3 26.12 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.961 -1.018 . . . . 2.35 111.058 -176.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.64 -38.09 80.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.165 0.507 . . . . 0.47 110.207 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CG2' ' HB2' ' A' ' 99' ' ' ALA . 75.3 mt -63.41 -42.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.488 -0.778 . . . . 0.83 110.207 175.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -69.78 -29.39 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 2.76 110.303 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 67.3 mttm -62.54 -51.78 66.02 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.852 -0.425 . . . . 2.11 109.852 172.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -47.3 86.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.808 -0.633 . . . . 0.38 110.891 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.641 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 6.4 t70 -59.1 -41.65 88.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.787 -0.642 . . . . 1.36 110.963 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.89 -45.25 86.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.525 -0.307 . . . . 1.68 111.181 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 64' ' ' LYS . 81.5 mt -62.34 -34.08 62.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.22 0.533 . . . . 0.51 110.082 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.1 -48.28 68.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.731 -0.668 . . . . 0.53 110.642 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 73.1 mmtt -52.4 -34.87 50.16 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 112.151 0.426 . . . . 1.5 112.151 -177.232 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 123.822 0.701 . . . . 2.71 109.84 178.142 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 110.048 -0.353 . . . . 0.71 110.048 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -126.86 136.79 52.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.949 0.404 . . . . 1.67 109.991 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 54.1 mt -127.63 141.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.078 -0.51 . . . . 0.49 110.046 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.2 tt -113.88 132.75 55.8 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.59 -0.892 . . . . 1.4 108.59 175.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.53 106.31 19.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.959 -0.386 . . . . 0.38 109.959 175.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 96.0 mt -92.06 98.48 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.102 0.477 . . . . 1.61 109.963 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.603 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -119.43 179.15 4.29 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 109.581 -0.525 . . . . 1.17 109.581 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -122.32 99.86 6.64 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.599 -0.84 . . . . 2.04 110.033 170.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.422 ' HG2' HD13 ' A' ' 83' ' ' LEU . 18.7 ptmt -177.72 145.41 0.56 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.817 -1.083 . . . . 2.02 108.458 171.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -65.58 119.12 6.09 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 121.738 1.625 . . . . 0.85 111.336 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.7 m -123.02 123.04 67.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.432 0.634 . . . . 1.17 111.751 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.4 m -88.6 160.47 44.5 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.576 -0.738 . . . . 1.44 110.394 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -42.35 -44.75 7.97 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.813 3.008 . . . . 1.14 114.632 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.22 -38.43 79.93 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.737 0.303 . . . . 2.43 111.564 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -63.92 -33.71 76.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.345 -0.389 . . . . 3.78 110.753 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.2 -35.44 77.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.25 -0.432 . . . . 1.46 110.832 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -69.27 -25.26 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.503 . . . . 3.25 110.269 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -65.38 -50.36 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.316 -0.624 . . . . 2.44 109.316 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.86 -34.38 64.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.625 -0.716 . . . . 1.14 110.384 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -70.31 -22.67 62.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.811 -0.632 . . . . 2.2 110.658 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -80.4 -26.76 38.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.146 -0.479 . . . . 2.87 111.641 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -69.55 -31.4 69.58 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.049 0.388 . . . . 3.64 112.049 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -120.19 154.13 35.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.983 -0.377 . . . . 0.6 109.983 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -91.21 96.98 10.85 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.67 -1.212 . . . . 1.77 108.353 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.17 173.43 2.19 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.833 -1.53 . . . . 0.5 108.377 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -98.74 91.53 5.14 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.962 -0.755 . . . . 1.77 108.962 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 5.5 p -85.51 135.6 24.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.273 0.558 . . . . 1.05 110.233 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -113.58 99.22 7.57 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.611 -0.885 . . . . 2.71 108.611 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.676 ' O ' ' HD2' ' A' ' 106' ' ' ARG . 33.5 m -76.62 129.52 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.368 -0.378 . . . . 0.71 110.544 -174.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.676 ' HD2' ' O ' ' A' ' 105' ' ' VAL . 1.9 mpt_? -131.35 143.19 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.511 -0.313 . . . . 2.63 110.796 -177.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 9.8 t -109.95 127.45 54.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.251 0.548 . . . . 0.64 110.188 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.1 m -127.98 147.97 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.915 -0.584 . . . . 1.34 110.905 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.9 p -118.36 -31.5 4.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.946 -0.57 . . . . 1.22 110.434 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 32.6 m -118.68 141.7 30.39 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.93 110.335 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 110' ' ' SER . 37.8 Cg_exo -58.33 -18.9 40.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.487 2.791 . . . . 0.6 114.311 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.02 -29.77 55.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.098 -0.376 . . . . 2.04 110.38 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.28 -41.35 94.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.503 . . . . 2.21 109.803 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -56.44 -46.79 80.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.356 -0.838 . . . . 0.48 110.527 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -61.14 -35.82 78.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.724 -0.671 . . . . 1.53 110.999 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.36 -52.36 62.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 4.21 110.925 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -64.06 -40.23 95.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.99 111.449 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 114' ' ' ALA . 87.1 mt -60.34 -42.9 92.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.636 0.255 . . . . 0.57 111.225 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.4 -38.74 90.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 2.66 110.846 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -72.6 -22.75 60.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.291 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -89.79 -31.26 17.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.973 -0.558 . . . . 1.43 111.352 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.5 p -76.93 -59.16 2.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.319 -0.4 . . . . 1.31 111.019 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.323 -0.578 0 CA-C-O 121.348 0.594 . . . . 2.53 111.108 -177.425 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.862 0.363 . . . . 2.17 110.376 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.6 m -92.3 135.95 33.6 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.987 -0.745 . . . . 0.82 108.987 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -103.34 119.4 38.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.283 0.563 . . . . 0.39 111.183 -174.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -108.96 141.32 41.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.366 -0.833 . . . . 1.3 109.898 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 4.2 p -128.53 125.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.596 0.712 . . . . 1.08 110.512 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -111.16 157.22 20.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.158 -0.928 . . . . 1.18 108.961 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.6 tt -150.8 129.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.565 0.58 . . . . 0.55 112.565 -173.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.449 HD11 HD13 ' A' ' 58' ' ' LEU . 5.1 mp -119.71 79.05 1.38 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.505 -0.924 . . . . 1.24 108.505 166.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -149.47 89.75 1.66 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.812 -0.631 . . . . 1.27 109.433 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -85.05 86.56 7.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.393 -1.323 . . . . 2.75 110.594 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.443 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 8.6 m-20 -119.8 146.08 46.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.59 -1.186 . . . . 1.57 108.291 164.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 30.0 mmmt -71.02 -36.27 72.34 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.455 -0.498 . . . . 2.93 110.524 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -76.18 -47.71 23.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 3.44 110.972 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.57 ' CD2' ' HA ' ' A' ' 111' ' ' PRO . 1.9 tm? -59.33 -47.78 84.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.836 -0.62 . . . . 1.46 110.945 -175.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.4 mt -59.29 -39.53 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.597 -0.274 . . . . 0.69 111.224 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 65.7 mm-40 -60.85 -64.4 0.97 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.616 -0.265 . . . . 2.15 110.755 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.67 -34.23 74.01 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.448 -0.342 . . . . 2.05 111.503 -175.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.4 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 0.51 110.898 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -68.8 -36.84 78.75 Favored 'General case' 0 C--O 1.212 -0.918 0 C-N-CA 120.514 -0.475 . . . . 2.96 110.824 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.61 -35.76 80.6 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.874 -0.33 . . . . 1.88 110.883 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.9 mmt -76.54 -46.44 26.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.597 -0.274 . . . . 1.68 110.913 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.56 78.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.711 0.291 . . . . 0.49 111.333 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.54 -44.68 95.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.771 0.795 . . . . 2.41 108.959 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -65.92 -38.05 87.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.438 -1.256 . . . . 3.63 110.068 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.43 3.04 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.678 -0.692 . . . . 0.66 111.471 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 58.33 36.86 25.85 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.263 -0.88 . . . . 2.18 111.419 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.422 HD12 HG23 ' A' ' 118' ' ' ILE . 56.6 mt -97.25 140.91 31.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.853 -0.612 . . . . 0.59 109.351 177.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.39 101.45 7.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.789 -0.448 . . . . 0.53 109.789 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 41.0 tp -88.3 127.21 35.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 1.14 111.093 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -116.19 99.57 8.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.197 -0.668 . . . . 0.94 109.197 173.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 m -77.33 124.66 28.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.886 -0.597 . . . . 1.17 110.355 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 61' ' ' ALA . 12.9 m -133.85 -175.76 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.18 -0.464 . . . . 1.38 110.971 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 54' ' ' ASP . . . -152.85 99.58 0.19 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.945 -0.645 . . . . 1.24 111.999 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 53' ' ' GLY . 21.6 t70 102.75 155.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.273 1.429 . . . . 1.98 111.236 174.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.18 -47.24 65.64 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.171 0.434 . . . . 2.21 112.171 -172.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' O ' ' HE3' ' A' ' 60' ' ' LYS . 15.0 mm-40 -60.73 -34.9 75.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.93 0.395 . . . . 2.04 110.617 -178.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -76.25 -27.37 56.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.677 -0.692 . . . . 2.16 110.916 177.323 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.655 ' O ' HG13 ' A' ' 62' ' ' ILE . 65.0 tp -74.59 -36.63 63.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.469 -0.332 . . . . 0.83 110.56 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.89 -55.42 35.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.926 0.393 . . . . 2.26 112.0 -176.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HE3' ' O ' ' A' ' 56' ' ' GLU . 14.4 ptpt -55.63 -30.66 61.32 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.49 -0.777 . . . . 2.35 111.685 174.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.509 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -74.55 -45.89 42.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.398 0.142 . . . . 0.47 111.081 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.655 HG13 ' O ' ' A' ' 58' ' ' LEU . 22.1 mt -60.63 -41.13 86.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.419 0.628 . . . . 0.83 109.354 176.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -60.44 -42.08 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.151 -0.931 . . . . 2.76 110.316 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -69.44 -37.22 77.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 2.11 111.112 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.87 72.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.946 0.403 . . . . 0.38 110.397 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.45 -32.54 73.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.992 -0.549 . . . . 1.36 110.665 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 14.4 t70 -60.33 -51.22 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.711 . . . . 1.68 110.685 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.36 -35.99 73.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.51 110.244 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.17 -61.19 2.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.669 -0.696 . . . . 0.53 111.142 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -72.89 -12.58 61.02 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.347 0.499 . . . . 1.5 112.347 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 2.6 tppp? . . . . . 0 C--N 1.322 -0.618 0 O-C-N 123.464 0.477 . . . . 2.71 110.439 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.372 0.606 . . . . 0.71 112.075 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -113.55 133.13 55.43 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.212 -1.033 . . . . 1.67 108.212 174.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.49 ' HB ' HG23 ' A' ' 103' ' ' VAL . 63.9 mt -128.7 140.58 48.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.805 0.336 . . . . 0.49 110.591 -174.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.39 134.45 52.3 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.063 -0.717 . . . . 1.4 109.063 177.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.439 HD13 HD21 ' A' ' 58' ' ' LEU . 96.4 mt -118.45 101.9 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.796 0.331 . . . . 0.38 110.16 175.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 99.3 mt -93.79 101.21 13.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 1.61 110.465 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -126.79 157.66 38.63 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 121.128 -0.229 . . . . 1.17 111.002 -179.414 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 2.0 tm-20 -98.07 101.5 13.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.062 -1.088 . . . . 2.04 108.062 170.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 63.8 mttm -171.42 151.66 3.07 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 114.775 -1.102 . . . . 2.02 108.302 -177.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.2 117.82 4.51 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.677 1.585 . . . . 0.85 109.906 167.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.6 m -124.33 139.04 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.137 0.494 . . . . 1.17 111.905 -174.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.9 p -101.21 160.0 27.86 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.693 -0.685 . . . . 1.44 110.322 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.3 -31.98 86.53 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.325 2.016 . . . . 1.14 111.572 173.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.92 -47.96 84.02 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.611 -0.722 . . . . 2.43 110.736 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -65.36 -36.49 84.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 3.78 110.324 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.09 -44.4 94.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.209 -0.451 . . . . 1.46 110.204 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.15 -33.46 75.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.503 . . . . 3.25 110.47 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.57 -40.78 97.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 2.44 110.707 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.94 -33.78 39.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.296 -0.411 . . . . 1.14 110.649 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.93 -34.73 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.445 -0.576 . . . . 2.2 109.445 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? -80.93 -20.83 41.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 2.87 111.349 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -66.29 -50.62 63.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 3.64 110.179 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.412 ' CB ' HG22 ' A' ' 62' ' ' ILE . . . -112.87 132.32 55.35 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.577 -0.527 . . . . 0.6 109.577 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.82 100.34 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.708 0.766 . . . . 1.77 109.697 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.97 -175.09 0.7 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.154 -1.384 . . . . 0.5 107.839 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -111.12 89.0 2.92 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.45 -0.574 . . . . 1.77 109.45 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.49 HG23 ' HB ' ' A' ' 79' ' ' ILE . 3.3 p -90.47 141.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.393 0.616 . . . . 1.05 110.016 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -124.47 107.46 11.11 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.445 -0.946 . . . . 2.71 108.445 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.8 m -82.22 139.77 17.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.43 -0.508 . . . . 0.71 109.987 -174.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.439 ' HB2' HD23 ' A' ' 82' ' ' LEU . 34.7 mmt180 -136.73 140.19 42.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.884 0.373 . . . . 2.63 110.688 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 8.8 t -95.11 131.86 40.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.015 -0.539 . . . . 0.64 109.869 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' A' ' 114' ' ' ALA . 3.9 p -129.21 125.16 61.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.129 -0.487 . . . . 1.34 111.154 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.3 p -119.3 -2.03 10.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.22 -0.446 . . . . 1.22 111.129 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.0 m -154.63 147.34 17.81 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-N 116.784 -0.189 . . . . 0.93 111.247 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 32.5 Cg_exo -38.52 -53.99 1.65 Allowed 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 123.972 3.115 . . . . 0.6 114.602 176.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 41.1 m-20 -57.55 -38.33 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 2.04 111.991 -173.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.09 -47.71 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 2.21 110.372 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' A' ' 108' ' ' VAL . . . -60.86 -44.21 97.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.898 -0.592 . . . . 0.48 110.523 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -62.55 -29.51 70.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 1.53 111.152 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 112' ' ' ASP . 63.7 mtt180 -67.09 -53.14 33.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.485 -0.325 . . . . 4.21 110.41 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -65.58 -44.67 85.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.945 -0.571 . . . . 0.99 111.157 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 47' ' ' LEU . 82.7 mt -57.36 -41.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.57 110.997 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.506 ' HA ' ' HE3' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -64.54 -47.09 80.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.786 -0.643 . . . . 2.66 110.526 -178.827 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.48 -50.12 64.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 2.48 111.074 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -58.31 -37.06 74.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.965 -0.561 . . . . 1.43 111.372 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.0 t -70.39 -55.58 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.245 -0.434 . . . . 1.31 110.65 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 121.383 0.611 . . . . 2.53 111.386 -175.913 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.089 -0.338 . . . . 2.17 110.089 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -79.73 132.34 36.16 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.705 -0.398 . . . . 0.82 110.378 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.462 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 64.6 mt -111.62 120.05 40.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.851 0.358 . . . . 0.39 110.813 -177.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 72.9 m-85 -113.43 155.79 24.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 1.3 110.586 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.489 ' HB ' HD22 ' A' ' 49' ' ' LEU . 22.8 t -135.42 111.73 13.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.137 -0.483 . . . . 1.08 110.522 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.06 154.17 19.59 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.801 -1.185 . . . . 1.18 107.801 167.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.5 tt -151.17 125.12 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.878 -0.329 . . . . 0.55 111.084 -177.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -112.81 78.83 1.16 Allowed 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.775 -0.824 . . . . 1.24 108.775 168.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -150.95 100.31 2.79 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.473 -0.785 . . . . 1.27 109.401 173.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -82.24 85.72 6.78 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 117.863 -1.535 . . . . 2.75 109.506 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.532 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 10.6 t70 -120.75 115.67 23.76 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.727 -1.124 . . . . 1.57 107.993 167.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 34.5 mmtp -61.6 -37.35 83.59 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.819 0.674 . . . . 2.93 112.819 -170.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -26.65 25.02 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.589 -0.444 . . . . 3.44 110.772 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.532 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -63.64 -55.52 22.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.316 -0.624 . . . . 1.46 109.316 174.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.8 mt -52.48 -31.63 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.401 -0.818 . . . . 0.69 110.813 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 11.6 mm-40 -65.08 -58.38 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 2.15 110.559 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.68 -41.71 99.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.554 . . . . 2.05 111.215 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.62 96.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.004 -0.544 . . . . 0.51 111.14 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 45.4 ttt180 -70.4 -47.94 58.5 Favored 'General case' 0 C--O 1.21 -1.007 0 C-N-CA 120.102 -0.639 . . . . 2.96 110.392 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.52 -34.86 69.55 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.876 0.37 . . . . 1.88 110.739 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.405 ' SD ' ' HB ' ' A' ' 118' ' ' ILE . 33.1 ttm -62.64 -52.58 62.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.863 -0.608 . . . . 1.68 110.231 173.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.581 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -65.96 -29.29 69.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 0.49 111.503 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 39.4 mm-40 -59.51 -52.2 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.542 0.687 . . . . 2.41 109.679 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -74.36 -28.07 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.005 -0.998 . . . . 3.63 111.331 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.36 -0.64 53.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.756 0.312 . . . . 0.66 111.342 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.4 m120 60.19 38.55 20.06 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.838 -0.619 . . . . 2.18 111.485 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.581 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 15.3 mt -103.01 161.31 13.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.098 -0.705 . . . . 0.59 109.098 177.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.423 HD12 ' CE1' ' A' ' 24' ' ' PHE . 50.4 mt -101.33 97.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.235 0.54 . . . . 0.53 110.939 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.489 HD22 ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -81.68 120.63 25.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.51 -0.768 . . . . 1.14 108.96 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.4 mt -117.16 108.16 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.868 -0.419 . . . . 0.94 109.868 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 p -72.39 126.5 29.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.127 -0.488 . . . . 1.17 110.943 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.446 HG13 ' HG2' ' A' ' 57' ' ' GLU . 40.4 t -134.5 155.43 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.739 0.304 . . . . 1.38 110.984 -174.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.604 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -155.91 94.94 0.14 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.561 -0.828 . . . . 1.24 111.897 168.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.604 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 14.2 t70 144.53 140.89 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.756 1.622 . . . . 1.98 107.387 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 45.2 mt-10 -69.22 -25.29 64.24 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.843 0.354 . . . . 2.21 111.053 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 43.9 mt-10 -86.74 -25.48 24.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.882 -0.414 . . . . 2.04 109.882 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HG2' HG13 ' A' ' 52' ' ' VAL . 34.3 tt0 -70.71 -28.33 64.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.18 -0.674 . . . . 2.16 109.18 171.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 62' ' ' ILE . 14.4 mt -60.14 -44.15 95.16 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.804 -0.443 . . . . 0.83 109.804 169.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 65.1 mttm -54.73 -27.73 43.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.586 . . . . 2.26 110.994 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -90.1 -45.11 9.36 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.351 -0.84 . . . . 2.35 110.645 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.16 75.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.47 111.386 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 58' ' ' LEU . 65.1 mt -69.3 -38.87 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.983 0.42 . . . . 0.83 109.971 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -65.65 -35.71 81.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.101 0.476 . . . . 2.76 109.862 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -68.56 -36.47 78.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.619 -0.718 . . . . 2.11 110.7 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.09 82.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.027 0.441 . . . . 0.38 109.893 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.04 -41.44 78.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.577 -0.738 . . . . 1.36 110.381 174.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.43 -50.16 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.586 -0.734 . . . . 1.68 111.488 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.38 -38.4 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.141 0.496 . . . . 0.51 110.808 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.534 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -69.25 -49.15 58.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.841 -0.618 . . . . 0.53 111.525 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.8 -18.4 60.96 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.266 0.839 . . . . 1.5 113.266 -170.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 C--N 1.313 -1.019 0 C-N-CA 120.182 -0.607 . . . . 2.71 109.506 176.757 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.724 0.297 . . . . 0.71 110.745 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 65.4 mttm -123.56 141.84 51.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.199 -0.667 . . . . 1.67 109.199 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.459 ' HB ' HG23 ' A' ' 103' ' ' VAL . 61.8 mt -138.72 139.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.57 0.224 . . . . 0.49 111.266 -174.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 80' ' ' LEU . 14.8 mt -101.07 143.09 31.62 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.09 -0.337 . . . . 1.4 110.09 169.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 92.0 mt -120.19 96.04 4.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.864 -0.791 . . . . 0.38 108.864 165.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 25.1 mt -77.76 141.61 39.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.114 -0.698 . . . . 1.61 109.114 174.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.412 HD22 ' HE3' ' A' ' 85' ' ' LYS . 1.1 pp -170.29 164.5 8.93 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.902 -0.407 . . . . 1.17 109.902 177.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 40.3 mt-10 -117.43 99.19 6.83 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.006 -0.677 . . . . 2.04 109.935 174.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.412 ' HE3' HD22 ' A' ' 83' ' ' LEU . 16.6 pttp -177.13 159.08 1.42 Allowed Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 114.992 -1.003 . . . . 2.02 108.524 170.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.16 118.89 5.81 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.247 1.965 . . . . 0.85 112.019 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.7 m -116.32 127.87 73.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.253 0.549 . . . . 1.17 110.895 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.4 m -91.82 158.43 40.0 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.988 -0.551 . . . . 1.44 110.021 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.71 -44.68 25.83 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.729 2.286 . . . . 1.14 113.38 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 44.2 mt-10 -72.99 -12.18 60.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.513 -0.312 . . . . 2.43 111.833 -175.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -69.21 -39.29 78.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.341 -0.614 . . . . 3.78 109.341 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.454 ' HB2' HG22 ' A' ' 105' ' ' VAL . 39.5 tt0 -69.5 -38.02 77.45 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.495 -0.775 . . . . 1.46 110.313 177.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -60.22 -43.33 96.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.94 -0.573 . . . . 3.25 110.686 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 64.6 mttp -63.87 -38.37 90.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.4 -0.364 . . . . 2.44 111.11 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.52 -34.21 54.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.888 0.375 . . . . 1.14 110.83 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.97 -35.71 80.57 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.047 -0.723 . . . . 2.2 109.047 176.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -75.49 -28.08 59.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.117 -0.492 . . . . 2.87 111.406 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -63.62 -42.76 98.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 3.64 110.872 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.73 128.54 48.95 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.153 -0.476 . . . . 0.6 110.097 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.24 101.21 1.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.56 0.695 . . . . 1.77 109.749 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.79 -179.63 0.98 Allowed 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 114.322 -1.308 . . . . 0.5 107.696 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -104.4 89.29 3.19 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 120.088 -0.645 . . . . 1.77 109.275 170.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.459 HG23 ' HB ' ' A' ' 79' ' ' ILE . 3.0 p -87.92 135.77 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.444 0.64 . . . . 1.05 109.705 178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.425 ' HA ' ' OE2' ' A' ' 92' ' ' GLU . 39.8 ttm180 -119.71 99.81 6.88 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.223 -1.029 . . . . 2.71 108.223 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.454 HG22 ' HB2' ' A' ' 92' ' ' GLU . 13.3 m -72.42 133.71 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.274 -0.639 . . . . 0.71 109.274 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.547 ' HB2' HD23 ' A' ' 82' ' ' LEU . 3.4 mmp_? -126.45 113.25 16.6 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.163 -0.336 . . . . 2.63 110.42 -174.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.9 t -89.25 120.7 30.85 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.392 -0.595 . . . . 0.64 109.392 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 24.0 m -106.29 139.33 27.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 1.34 111.376 -174.093 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.0 p -110.34 -4.74 15.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.917 -0.583 . . . . 1.22 111.161 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.446 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 58.9 m -161.82 151.72 13.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.66 -0.496 . . . . 0.93 109.66 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.434 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 51.7 Cg_exo -54.79 -38.44 91.98 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.258 1.972 . . . . 0.6 112.229 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.56 -40.66 95.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.829 -0.623 . . . . 2.04 110.922 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.446 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 42.2 mm-40 -58.33 -47.39 83.87 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.228 -0.442 . . . . 2.21 110.208 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.05 74.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.722 -0.672 . . . . 0.48 110.885 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -63.76 -38.43 91.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.775 -0.648 . . . . 1.53 110.846 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 120' ' ' GLU . 1.2 mpt_? -65.11 -44.05 90.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.462 -0.335 . . . . 4.21 111.119 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -61.45 -42.29 98.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.667 0.27 . . . . 0.99 110.753 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.405 ' HB ' ' SD ' ' A' ' 41' ' ' MET . 66.3 mt -70.62 -39.5 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.381 -0.372 . . . . 0.57 110.888 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.96 -45.67 86.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.888 0.375 . . . . 2.66 110.397 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 45.4 mt-10 -69.65 -41.4 75.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.575 . . . . 2.48 110.264 178.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 64.5 t80 -63.84 -21.69 66.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 1.43 111.604 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.7 m -64.23 -26.75 68.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.784 0.326 . . . . 1.31 110.387 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--O 1.234 0.278 0 CA-C-N 115.868 -0.605 . . . . 2.53 109.781 -178.016 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.543 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 25.4 ptt? . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 120.664 0.269 . . . . 2.17 110.52 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 m -85.01 127.67 34.3 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.561 -0.533 . . . . 0.82 109.561 175.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -104.72 114.95 29.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.251 0.548 . . . . 0.39 110.809 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.439 ' HB2' HG12 ' A' ' 79' ' ' ILE . 37.5 m-85 -105.98 157.87 17.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.54 -0.755 . . . . 1.3 109.325 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 2.6 p -143.43 130.86 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.805 0.812 . . . . 1.08 111.127 173.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.453 HD23 HD12 ' A' ' 58' ' ' LEU . 10.4 mp -115.98 162.96 16.6 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.644 -1.162 . . . . 1.18 109.135 176.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.1 tt -148.37 128.76 4.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 116.386 -0.37 . . . . 0.55 110.448 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 58' ' ' LEU . 6.7 tp -124.57 77.9 1.62 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 119.625 -0.83 . . . . 1.24 109.235 170.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.405 ' HB3' HD21 ' A' ' 34' ' ' LEU . 5.8 t -149.26 88.94 1.61 Allowed 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 107.099 -1.445 . . . . 1.27 107.099 170.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -85.01 88.86 7.49 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.332 -1.347 . . . . 2.75 111.393 -170.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.552 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 8.9 t70 -119.27 140.12 50.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.346 -1.297 . . . . 1.57 108.08 162.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 13.8 mptt -58.05 -61.47 2.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.672 0.669 . . . . 2.93 112.037 -175.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -68.92 -31.0 69.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.489 0.185 . . . . 3.44 111.253 -174.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.562 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 30.1 tp -57.45 -55.3 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 1.46 110.349 174.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.5 mt -59.0 -43.24 88.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.69 111.071 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 45.2 mt-10 -62.7 -51.97 65.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.407 -0.36 . . . . 2.15 111.382 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -67.39 -35.68 79.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.641 0.258 . . . . 2.05 111.376 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.11 79.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.51 110.606 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -63.96 -44.97 91.2 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.19 -0.459 . . . . 2.96 110.895 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 65.9 mttm -52.75 -34.62 53.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.909 0.385 . . . . 1.88 110.945 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.9 tpt -72.61 -55.03 7.51 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.885 -0.598 . . . . 1.68 111.328 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -32.38 61.04 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.325 0.491 . . . . 0.49 112.325 -174.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -61.28 -45.15 95.68 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.344 -0.614 . . . . 2.41 109.344 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -79.51 -20.41 47.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.779 -0.646 . . . . 3.63 111.309 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.2 1.65 17.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.01 0.433 . . . . 0.66 111.04 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 63.37 32.97 14.25 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.327 -0.852 . . . . 2.18 110.688 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.61 140.56 31.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.627 -0.715 . . . . 0.59 109.225 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.5 mt -78.94 91.73 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.374 0.607 . . . . 0.53 109.799 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 62.2 tp -89.94 133.43 34.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.215 -0.902 . . . . 1.14 111.037 -176.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.0 mt -122.92 99.78 7.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.872 -0.604 . . . . 0.94 109.663 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 p -81.35 114.38 20.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.806 -0.634 . . . . 1.17 110.961 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 58' ' ' LEU . 6.1 m -123.84 164.58 21.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.282 -0.417 . . . . 1.38 110.97 -177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -140.98 97.38 0.21 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.585 -0.817 . . . . 1.24 112.305 176.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.0 t70 135.42 149.99 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.956 1.703 . . . . 1.98 108.925 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -62.05 -43.12 99.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.928 0.394 . . . . 2.21 110.67 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.42 -30.38 67.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 2.04 110.91 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -62.51 -41.87 99.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 2.16 110.173 175.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.54 ' HB2' HD13 ' A' ' 28' ' ' LEU . 24.3 tp -62.08 -41.52 98.27 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.825 -0.625 . . . . 0.83 109.998 175.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -60.25 -25.51 65.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.085 -0.961 . . . . 2.26 110.936 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 49.8 mttm -90.57 -35.82 14.8 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.248 -0.887 . . . . 2.35 111.096 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.3 95.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.156 0.503 . . . . 0.47 109.751 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.0 mt -58.64 -46.19 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.858 . . . . 0.83 110.795 176.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -66.21 -43.25 87.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 2.76 111.305 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 7.1 mtpm? -69.15 -27.35 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 2.11 111.112 -177.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.39 -33.35 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.38 110.538 177.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.47 -43.44 98.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 1.36 110.193 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.9 -36.99 75.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.994 -0.548 . . . . 1.68 111.303 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.5 mt -74.66 -39.16 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.003 0.43 . . . . 0.51 110.139 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.14 -53.85 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.754 -0.657 . . . . 0.53 110.94 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -59.18 -31.12 68.71 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.946 -0.57 . . . . 1.5 111.417 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.551 -0.749 . . . . 2.71 110.476 -179.629 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.685 -0.487 . . . . 0.71 109.685 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.543 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 47.5 mtmt -136.17 139.47 42.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.081 0.467 . . . . 1.67 110.56 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.58 ' HB ' HG23 ' A' ' 103' ' ' VAL . 53.9 mt -124.0 142.16 41.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.663 -0.698 . . . . 0.49 109.632 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.04 126.49 52.4 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.483 -0.932 . . . . 1.4 108.483 174.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.6 mt -116.18 107.86 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.58 -0.448 . . . . 0.38 110.474 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 106' ' ' ARG . 96.8 mt -95.26 99.04 11.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.499 . . . . 1.61 110.04 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -123.05 159.5 28.29 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 121.161 -0.215 . . . . 1.17 110.603 -178.767 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -102.49 101.55 11.76 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.527 -0.869 . . . . 2.04 108.998 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -174.38 144.22 0.92 Allowed Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 114.933 -1.031 . . . . 2.02 108.452 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.17 119.97 7.1 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 121.917 1.744 . . . . 0.85 110.635 170.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 m -124.6 130.86 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.337 0.589 . . . . 1.17 111.677 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.421 ' HB2' ' HD2' ' A' ' 89' ' ' PRO . 60.0 p -100.12 172.82 4.22 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.417 -0.81 . . . . 1.44 109.855 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 88' ' ' SER . 59.4 Cg_exo -54.27 -29.64 58.28 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 121.815 1.677 . . . . 1.14 111.542 171.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 42.3 mt-10 -70.84 -45.07 65.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.483 -0.78 . . . . 2.43 110.434 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.12 -45.64 83.31 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.917 0.389 . . . . 3.78 110.525 174.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.73 -44.56 86.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.662 -0.699 . . . . 1.46 110.784 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -61.55 -37.22 82.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.665 -0.698 . . . . 3.25 110.9 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 34.8 mmtp -59.78 -46.3 89.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 2.44 110.701 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.7 mt -80.18 -35.33 36.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.988 -0.551 . . . . 1.14 110.867 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -70.94 -29.32 65.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.986 -0.552 . . . . 2.2 110.818 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -81.56 -29.19 33.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.349 -0.387 . . . . 2.87 111.506 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -65.58 -50.39 65.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 3.64 111.0 -176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.24 148.57 24.96 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.652 -0.87 . . . . 0.6 108.652 174.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -88.9 99.25 12.25 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.652 -1.219 . . . . 1.77 108.754 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.0 160.38 2.28 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.06 -1.427 . . . . 0.5 108.528 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -91.58 89.16 7.05 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.727 -0.842 . . . . 1.77 108.727 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.58 HG23 ' HB ' ' A' ' 79' ' ' ILE . 8.8 p -84.22 131.56 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.602 0.715 . . . . 1.05 110.714 -176.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -99.77 98.92 9.68 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.107 -0.951 . . . . 2.71 108.58 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.65 116.45 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.182 0.515 . . . . 0.71 109.824 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.513 ' HB2' HD23 ' A' ' 82' ' ' LEU . 5.4 mmp_? -119.53 137.36 53.87 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 122.156 -0.34 . . . . 2.63 110.42 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 12.4 t -90.6 132.87 35.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.537 -0.542 . . . . 0.64 109.537 178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 114' ' ' ALA . 10.4 p -126.33 146.52 32.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.406 -0.361 . . . . 1.34 111.125 -175.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.3 p -131.5 -17.52 2.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 1.22 111.331 175.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 4.2 p -138.4 140.59 28.67 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-O 121.367 0.603 . . . . 0.93 111.375 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PRO . . . . . 0.562 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 88.7 Cg_exo -50.18 -36.81 47.32 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.459 3.439 . . . . 0.6 114.032 -177.718 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.15 -38.2 78.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.468 -0.333 . . . . 2.04 111.199 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.58 -36.63 81.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.782 0.325 . . . . 2.21 110.127 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.469 ' HB2' HG21 ' A' ' 108' ' ' VAL . . . -56.95 -50.02 73.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.48 110.114 175.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -61.32 -31.69 71.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.725 -0.67 . . . . 1.53 111.172 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -65.31 -51.52 60.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.275 -0.421 . . . . 4.21 110.798 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -64.18 -39.14 93.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.99 110.82 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.12 -46.51 91.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.57 110.505 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -60.42 -46.8 88.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 2.66 110.92 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -65.52 -35.68 81.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.779 -0.646 . . . . 2.48 111.351 -177.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -77.97 -32.84 51.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.947 0.403 . . . . 1.43 110.552 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.2 t -64.31 -46.85 81.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 1.31 110.755 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.04 -0.527 . . . . 2.53 111.748 -173.717 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.627 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 49.9 ttp . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.307 -0.257 . . . . 2.17 110.307 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -83.14 121.49 27.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.252 -0.277 . . . . 0.82 110.252 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -100.66 123.9 45.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.14 0.495 . . . . 0.39 111.03 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 44.8 m-85 -113.92 161.72 17.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.86 -0.609 . . . . 1.3 109.969 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.3 p -149.14 132.33 7.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.499 0.666 . . . . 1.08 111.057 172.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -111.31 160.89 16.61 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.927 -1.033 . . . . 1.18 109.05 175.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.548 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 17.9 tt -151.07 126.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.522 -0.471 . . . . 0.55 111.734 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -117.24 78.55 1.23 Allowed 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.826 -1.176 . . . . 1.24 107.826 165.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.6 m -149.85 89.65 1.63 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.176 -0.92 . . . . 1.27 110.128 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' HA ' HD11 ' A' ' 35' ' ' ILE . 40.7 m-80 -90.2 87.39 6.83 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 118.055 -1.458 . . . . 2.75 110.731 -177.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.618 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 7.4 t70 -120.66 135.32 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.331 -1.304 . . . . 1.57 108.204 162.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -56.31 -56.82 16.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 118.771 0.714 . . . . 2.93 112.048 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -72.69 -34.45 67.17 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.084 -0.246 . . . . 3.44 111.476 -174.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 41.1 tp -57.62 -50.41 73.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.673 0.273 . . . . 1.46 110.553 176.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 30' ' ' ASN . 57.8 mt -59.72 -39.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 0.69 110.667 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 8.5 mm-40 -57.78 -58.01 10.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 2.15 110.427 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 59.8 mm-40 -59.6 -44.49 93.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.884 -0.598 . . . . 2.05 111.488 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.38 85.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.51 111.175 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 39' ' ' ARG . 15.0 ttt180 -66.49 -50.69 62.43 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 120.566 -0.454 . . . . 2.96 110.251 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 95.5 mttt -53.59 -39.8 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 1.88 111.287 -176.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.4 tpt -67.26 -53.84 26.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.861 -0.609 . . . . 1.68 110.936 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -72.99 -27.05 61.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.49 111.767 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.2 -46.04 78.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.193 0.521 . . . . 2.41 110.098 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -78.16 -16.81 57.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.788 -0.642 . . . . 3.63 110.425 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.41 -2.51 57.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.87 -0.605 . . . . 0.66 109.97 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.3 t30 60.7 34.19 20.05 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.027 -0.988 . . . . 2.18 111.355 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 19.9 mt -86.89 155.17 20.35 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.078 -0.712 . . . . 0.59 109.078 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.486 HD12 ' CE2' ' A' ' 24' ' ' PHE . 50.0 mt -90.27 92.02 3.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.452 0.644 . . . . 0.53 109.902 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 39' ' ' ARG . 48.8 tp -92.33 116.61 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.028 -0.987 . . . . 1.14 110.479 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.506 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 51.3 mt -108.97 106.89 21.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.065 0.46 . . . . 0.94 109.786 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.3 p -87.78 112.38 22.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.856 -0.611 . . . . 1.17 111.03 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 58' ' ' LEU . 35.7 m -125.94 166.96 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.446 -0.576 . . . . 1.38 109.446 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -136.97 95.35 0.23 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.81 -1.186 . . . . 1.24 112.521 174.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 30.9 t70 154.89 150.12 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.324 1.45 . . . . 1.98 108.1 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.41 -38.37 81.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.124 0.488 . . . . 2.21 110.267 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 7.3 mm-40 -72.28 -40.55 67.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.102 -0.499 . . . . 2.04 110.051 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.14 -31.6 72.1 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.185 -0.461 . . . . 2.16 111.11 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' HA ' HG21 ' A' ' 52' ' ' VAL . 45.8 tp -60.58 -40.77 92.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.83 110.11 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -67.94 -19.68 64.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.898 -0.592 . . . . 2.26 111.05 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 6.3 mmpt? -86.86 -33.48 19.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.717 -0.674 . . . . 2.35 109.754 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.74 -43.71 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.634 -0.712 . . . . 0.47 109.674 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.406 HG22 ' HB2' ' A' ' 99' ' ' ALA . 87.9 mt -57.68 -44.02 84.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.311 -0.859 . . . . 0.83 110.458 174.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -61.76 -42.93 99.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 2.76 110.725 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' O ' HG13 ' A' ' 68' ' ' ILE . 38.4 ttmt -62.22 -38.87 90.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 2.11 110.051 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.05 99.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.38 110.421 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 24.4 t70 -59.58 -44.95 93.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.826 -0.625 . . . . 1.36 110.461 176.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -62.54 -48.25 80.34 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.053 -0.522 . . . . 1.68 111.524 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 64' ' ' LYS . 81.7 mt -62.68 -44.24 99.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 120.857 0.361 . . . . 0.51 110.717 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -64.66 -42.73 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.53 110.81 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' NZ ' ' HB2' ' A' ' 100' ' ' ASP . 9.1 tppt? -54.75 -36.08 64.43 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.502 -0.772 . . . . 1.5 111.95 -174.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -54.84 -41.97 71.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.75 -0.659 . . . . 2.71 110.571 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -125.63 -55.15 1.53 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.476 1.287 . . . . 2.22 114.476 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -116.25 12.65 15.46 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.337 1.977 . . . . 2.41 116.337 -163.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.563 ' CB ' ' HA ' ' A' ' 70' ' ' LYS . 33.1 t -62.99 -9.4 9.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.053 0.842 . . . . 3.38 111.844 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 m -52.64 -44.6 66.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.107 0.479 . . . . 2.75 109.834 173.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -153.68 99.0 2.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.803 -0.635 . . . . 2.76 109.699 171.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.33 158.87 30.08 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.556 -0.747 . . . . 0.71 109.315 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.627 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 54.2 mtmt -126.33 137.7 53.51 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.908 -0.405 . . . . 1.67 109.908 177.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.502 ' HB ' HG23 ' A' ' 103' ' ' VAL . 53.3 mt -130.38 142.76 42.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.739 -0.664 . . . . 0.49 109.919 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 21.6 tp -113.88 136.1 53.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.09 -0.707 . . . . 1.4 109.09 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.485 HG22 HD22 ' A' ' 83' ' ' LEU . 70.4 mt -120.31 109.61 26.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.868 -0.419 . . . . 0.38 109.868 176.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 71.1 mt -93.67 104.77 16.85 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.486 -0.561 . . . . 1.61 109.486 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.644 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.5 pt? -128.26 156.43 43.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 120.626 0.251 . . . . 1.17 110.485 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -99.33 98.32 9.28 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.437 -1.32 . . . . 2.04 107.437 169.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -175.16 140.29 0.63 Allowed Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.808 -1.087 . . . . 2.02 108.368 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.8 118.63 5.56 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 121.656 1.57 . . . . 0.85 110.722 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.1 m -110.98 129.8 65.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.226 0.536 . . . . 1.17 111.712 -175.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 m -101.1 157.27 33.97 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.786 -0.643 . . . . 1.44 110.495 176.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 80.6 Cg_exo -47.17 -51.41 9.46 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.9 2.4 . . . . 1.14 112.994 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.71 -36.82 77.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.497 -0.32 . . . . 2.43 111.04 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -62.97 -39.14 93.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 3.78 110.108 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.38 -45.09 92.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.8 -0.636 . . . . 1.46 110.789 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 67.5 mmtt -73.18 -22.23 60.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 3.25 110.779 -174.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -64.42 -46.51 82.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.968 0.413 . . . . 2.44 110.1 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.77 -32.68 62.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.028 -0.533 . . . . 1.14 110.274 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.445 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 24.2 tm0? -65.31 -36.5 84.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.666 . . . . 2.2 110.52 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -81.35 -9.52 59.73 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.889 -0.324 . . . . 2.87 111.813 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -78.4 -51.35 10.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 3.64 109.871 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -107.56 129.89 54.93 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.739 -0.837 . . . . 0.6 108.739 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.582 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 8.3 m-20 -75.73 99.5 4.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.018 0.913 . . . . 1.77 109.547 -173.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.09 179.0 1.35 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.204 -1.816 . . . . 0.5 107.766 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.529 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 68.8 mm-40 -103.91 94.81 5.61 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.268 -0.641 . . . . 1.77 109.268 171.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.5 p -92.19 139.96 17.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.364 0.602 . . . . 1.05 110.323 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' O ' HD12 ' A' ' 80' ' ' LEU . 70.1 mtt180 -115.8 110.76 19.51 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.341 -0.845 . . . . 2.71 108.781 174.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m -81.03 133.14 29.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.025 -0.731 . . . . 0.71 109.025 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.91 121.42 21.68 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 121.04 -0.264 . . . . 2.63 111.278 -172.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 9.3 t -83.4 129.8 35.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.529 -0.545 . . . . 0.64 109.529 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.3 m -116.47 156.09 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.185 0.516 . . . . 1.34 111.384 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.3 p -125.21 -63.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.446 -0.797 . . . . 1.22 110.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.6 m -113.28 153.46 45.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.439 -0.346 . . . . 0.93 111.077 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.517 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 86.1 Cg_exo -43.36 -52.01 5.39 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.398 2.732 . . . . 0.6 113.806 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.07 -32.35 70.85 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.471 -0.331 . . . . 2.04 111.82 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.67 -44.47 86.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 2.21 110.011 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.33 -40.92 97.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.821 -0.627 . . . . 0.48 110.772 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 111' ' ' PRO . 50.1 mtpt -64.27 -34.19 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 1.53 110.497 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.437 ' HD2' ' CZ3' ' A' ' 117' ' ' TRP . 10.7 ttm180 -64.75 -42.14 95.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 4.21 110.239 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.437 ' CZ3' ' HD2' ' A' ' 116' ' ' ARG . 6.1 m95 -68.9 -34.83 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.842 -0.617 . . . . 0.99 110.748 -178.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 114' ' ' ALA . 74.6 mt -63.46 -40.1 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.849 -0.426 . . . . 0.57 109.849 175.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -63.76 -41.82 97.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 2.66 110.65 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 124' ' ' GLU . 33.7 tt0 -70.11 -19.35 63.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.315 0.579 . . . . 2.48 110.708 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -91.22 -50.68 5.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.553 -0.749 . . . . 1.43 111.67 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 m -84.43 -20.28 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.74 0.305 . . . . 1.31 111.607 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -128.97 43.88 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.301 0.572 . . . . 2.53 110.527 -174.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.487 ' HB3' ' O ' ' A' ' 120' ' ' GLU . 12.0 pt-20 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.172 -0.918 . . . . 2.76 110.523 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.628 0.252 . . . . 2.17 110.336 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -97.38 136.24 38.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.843 -0.428 . . . . 0.82 109.843 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.42 124.96 46.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.056 0.455 . . . . 0.39 110.527 -177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CE1' HD12 ' A' ' 48' ' ' ILE . 48.7 m-85 -113.02 151.22 30.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.966 -0.561 . . . . 1.3 110.343 -176.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.533 HG13 ' HA ' ' A' ' 49' ' ' LEU . 3.9 p -133.86 113.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.795 0.807 . . . . 1.08 110.857 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 58' ' ' LEU . 6.8 mp -97.65 151.32 20.23 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.945 -1.025 . . . . 1.18 108.445 177.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.782 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 17.0 tt -151.68 119.85 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.026 -0.67 . . . . 0.55 112.754 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mp -105.63 76.78 1.22 Allowed 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 108.824 -0.806 . . . . 1.24 108.824 166.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.7 m -149.45 88.69 1.58 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.005 -0.998 . . . . 1.27 108.826 175.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -94.61 90.54 6.18 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 118.43 -1.308 . . . . 2.75 110.834 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 12.6 t70 -118.31 136.49 53.67 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.691 -1.226 . . . . 1.57 107.691 160.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 14.3 mmmm -55.97 -55.66 30.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 118.597 0.635 . . . . 2.93 111.681 -174.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -32.49 64.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.435 -0.348 . . . . 3.44 110.86 -174.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -58.18 -53.44 58.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.501 -0.555 . . . . 1.46 109.501 175.442 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.6 -33.95 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.124 0.488 . . . . 0.69 110.593 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 46.3 mt-10 -67.97 -51.68 44.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.764 -0.653 . . . . 2.15 110.127 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 57.5 mm-40 -60.42 -40.83 92.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.847 -0.615 . . . . 2.05 110.96 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.39 93.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.793 -0.64 . . . . 0.51 110.707 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 58.4 ttp180 -67.25 -36.85 82.46 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.475 -0.329 . . . . 2.96 110.863 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 99.7 mttt -53.85 -40.53 66.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.529 . . . . 1.88 110.39 177.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.6 mmm -75.63 -54.2 7.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.621 -0.718 . . . . 1.68 110.702 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.24 86.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.638 0.607 . . . . 0.49 112.638 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -62.28 -46.67 87.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.835 -0.802 . . . . 2.41 108.835 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.07 -29.41 68.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.528 -0.76 . . . . 3.63 110.831 176.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.43 1.66 40.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.039 -0.528 . . . . 0.66 112.03 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.09 40.01 12.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.96 0.886 . . . . 2.18 110.203 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.5 HD12 HG23 ' A' ' 118' ' ' ILE . 65.9 mt -107.31 136.0 47.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.764 -0.653 . . . . 0.59 110.126 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.411 HD12 ' CE1' ' A' ' 24' ' ' PHE . 61.9 mt -78.38 104.32 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.74 -0.467 . . . . 0.53 109.74 177.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.533 ' HA ' HG13 ' A' ' 25' ' ' VAL . 52.7 tp -84.15 121.61 27.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 1.14 110.752 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.4 mt -118.47 102.19 12.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.066 0.46 . . . . 0.94 110.067 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -85.04 110.68 19.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.041 -0.527 . . . . 1.17 111.299 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 61' ' ' ALA . 15.3 m -132.6 145.13 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.755 -0.657 . . . . 1.38 109.652 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.45 95.79 0.45 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 119.72 -1.228 . . . . 1.24 112.654 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.486 ' OD1' ' HB2' ' A' ' 56' ' ' GLU . 21.8 t70 151.1 152.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.398 1.479 . . . . 1.98 108.858 175.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.29 -43.24 95.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.984 0.421 . . . . 2.21 110.948 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 24.4 mm-40 -67.4 -39.78 85.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.035 -0.53 . . . . 2.04 110.07 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HG2' ' HB3' ' A' ' 54' ' ' ASP . 49.7 mm-40 -64.98 -32.77 74.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 2.16 110.838 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 26' ' ' LEU . 60.9 tp -60.0 -43.23 95.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.378 -0.601 . . . . 0.83 109.378 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -62.64 -22.99 66.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.821 -0.627 . . . . 2.26 111.758 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 8.4 mmpt? -84.2 -36.01 23.09 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.126 -0.488 . . . . 2.35 110.195 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -70.64 -39.26 73.76 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.585 -0.524 . . . . 0.47 109.585 174.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 58' ' ' LEU . 87.0 mt -59.33 -50.69 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.26 -0.882 . . . . 0.83 110.607 176.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -65.11 -34.73 79.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 2.76 110.742 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 68' ' ' ILE . 89.1 tttt -66.06 -45.76 80.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 2.11 110.217 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.8 84.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.38 110.587 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.706 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 14.1 t70 -58.91 -39.08 80.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.702 -0.681 . . . . 1.36 110.784 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 30.7 t70 -67.33 -48.82 66.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.582 . . . . 1.68 111.039 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 64' ' ' LYS . 75.3 mt -65.0 -32.5 58.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.239 -0.437 . . . . 0.51 110.547 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -52.2 50.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 0.53 111.193 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.653 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 68.1 mttm -59.79 -27.48 66.6 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 112.468 0.544 . . . . 1.5 112.468 -175.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 67.7 mttm -53.21 -42.91 66.79 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.095 0.474 . . . . 2.71 110.026 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -127.13 -53.72 1.39 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.709 1.374 . . . . 2.22 114.709 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -114.04 14.63 18.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 115.325 1.602 . . . . 2.41 115.325 -159.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.653 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 5.9 p -65.18 14.06 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.046 1.128 . . . . 3.38 114.046 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.6 p -60.92 -41.5 96.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.924 -0.769 . . . . 2.75 108.924 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -170.13 99.75 0.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.914 -1.039 . . . . 2.76 108.915 173.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.82 149.06 29.64 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.373 -0.376 . . . . 0.71 110.232 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.476 ' HG2' ' HB2' ' A' ' 102' ' ' GLU . 35.9 mtmm -118.95 143.54 46.97 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.805 -0.442 . . . . 1.67 109.805 176.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.574 ' HB ' HG23 ' A' ' 103' ' ' VAL . 74.7 mt -130.98 142.41 43.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.22 -0.446 . . . . 0.49 110.111 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -108.65 123.36 48.85 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.77 -0.826 . . . . 1.4 108.77 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.0 mt -110.41 99.89 9.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.062 0.458 . . . . 0.38 110.022 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.782 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -93.17 136.37 33.5 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.275 -1.009 . . . . 1.61 108.275 178.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -163.22 164.33 25.13 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.035 0.445 . . . . 1.17 111.683 -178.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -93.76 101.37 13.48 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.542 -1.281 . . . . 2.04 107.542 167.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.558 ' HB3' HD13 ' A' ' 83' ' ' LEU . 51.9 tttp -174.42 145.07 0.97 Allowed Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.07 -0.345 . . . . 2.02 110.07 -177.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.02 118.52 5.59 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.867 1.712 . . . . 0.85 110.157 166.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.1 m -111.44 130.71 64.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.281 0.562 . . . . 1.17 111.529 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 m -100.24 154.85 36.99 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 1.44 110.279 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 81.9 Cg_exo -47.56 -51.36 9.79 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.733 2.289 . . . . 1.14 112.796 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.49 -36.05 75.29 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.335 -0.393 . . . . 2.43 111.013 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.18 -38.94 93.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 3.78 110.543 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HB2' HG22 ' A' ' 105' ' ' VAL . 31.4 tt0 -66.3 -45.74 79.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.521 . . . . 1.46 110.29 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 28.9 mmmt -73.32 -17.86 61.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 3.25 110.182 -178.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -71.48 -45.82 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.812 -0.631 . . . . 2.44 109.969 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.16 -30.67 60.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.629 -0.714 . . . . 1.14 109.589 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -33.15 75.15 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.381 -0.827 . . . . 2.2 109.306 174.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -79.85 -28.1 40.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.222 -0.445 . . . . 2.87 110.72 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -70.06 -39.61 75.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 3.64 111.039 -177.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -119.99 138.43 53.49 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.359 -0.608 . . . . 0.6 109.359 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -77.94 96.92 5.15 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 118.827 -1.149 . . . . 1.77 108.287 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.08 149.92 0.93 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.56 -1.2 . . . . 0.5 108.945 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.476 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 63.4 mm-40 -81.05 89.58 5.95 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.031 -0.729 . . . . 1.77 109.031 173.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.574 HG23 ' HB ' ' A' ' 79' ' ' ILE . 3.5 p -90.67 144.93 8.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.708 -0.678 . . . . 1.05 110.463 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 106' ' ' ARG . 17.5 ptp180 -121.39 115.5 23.02 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.129 -0.941 . . . . 2.71 109.005 173.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 92' ' ' GLU . 14.4 m -91.48 125.69 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 109.007 -0.738 . . . . 0.71 109.007 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 104' ' ' ARG . 78.6 mmt-85 -127.98 143.16 51.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.449 . . . . 2.63 111.045 -174.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.1 t -119.56 139.12 52.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.6 -0.727 . . . . 0.64 109.93 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 m -125.38 167.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.01 0.433 . . . . 1.34 111.04 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.2 p -123.53 0.36 8.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.796 -0.638 . . . . 1.22 110.062 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.1 p -165.48 153.74 10.23 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 115.835 -0.621 . . . . 0.93 111.038 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -47.21 -49.75 12.32 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.333 2.689 . . . . 0.6 114.554 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.551 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 27.3 t70 -62.29 -30.22 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.677 0.621 . . . . 2.04 112.677 -169.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.0 -42.32 98.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.798 0.332 . . . . 2.21 110.579 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.9 86.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.48 110.391 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 8.9 mtpm? -60.87 -36.48 79.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.599 -0.728 . . . . 1.53 110.53 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -66.83 -53.06 36.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.636 . . . . 4.21 110.832 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -56.87 -39.02 73.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.897 -0.592 . . . . 0.99 111.1 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.5 HG23 HD12 ' A' ' 47' ' ' LEU . 82.4 mt -61.67 -45.35 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.57 111.1 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -67.47 -45.26 76.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.556 -0.293 . . . . 2.66 110.978 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -64.67 -27.11 68.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.943 0.401 . . . . 2.48 111.296 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -80.7 -47.87 13.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 1.43 111.197 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 p -66.09 -32.64 74.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.319 -0.4 . . . . 1.31 110.88 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -102.95 38.28 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.164 0.507 . . . . 2.53 110.789 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.322 -0.847 . . . . 2.76 109.111 173.777 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.735 ' HA ' ' OD1' ' A' ' 73' ' ' ASN . 1.7 pmm? . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.883 -0.414 . . . . 2.17 109.883 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 m -76.7 123.52 26.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.75 0.31 . . . . 0.82 110.6 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 mt -104.65 128.05 52.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.459 . . . . 0.39 110.631 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -117.81 147.45 43.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.112 -0.494 . . . . 1.3 110.063 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.497 HG13 ' HA ' ' A' ' 49' ' ' LEU . 3.7 p -134.6 130.4 53.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.893 0.854 . . . . 1.08 110.79 172.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 58' ' ' LEU . 11.0 mp -115.23 159.11 21.37 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.477 -1.238 . . . . 1.18 109.051 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 13.3 tt -150.76 124.68 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 121.021 -0.271 . . . . 0.55 110.35 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' A' ' 58' ' ' LEU . 5.7 tp -108.47 76.69 1.04 Allowed 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.318 -0.993 . . . . 1.24 108.318 173.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -150.95 145.66 25.74 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.375 -1.284 . . . . 1.27 108.602 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -126.39 88.19 2.79 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.433 -1.307 . . . . 2.75 110.811 168.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -119.34 129.5 54.88 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.627 -1.249 . . . . 1.57 107.627 160.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -66.21 -28.43 68.73 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 111.988 0.366 . . . . 2.93 111.988 -172.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -90.49 -35.81 14.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.871 0.367 . . . . 3.44 110.722 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.17 -46.3 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 1.46 110.03 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.36 -39.98 71.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.145 -0.48 . . . . 0.69 110.529 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 27.0 mm-40 -55.35 -62.1 1.9 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.239 -0.437 . . . . 2.15 110.939 174.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 38.2 mm-40 -57.95 -38.78 76.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 2.05 112.015 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.46 98.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.51 110.358 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 41.4 ttm180 -72.49 -27.43 62.26 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.787 -0.365 . . . . 2.96 110.627 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 69.7 mmtt -57.14 -40.93 78.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.198 0.523 . . . . 1.88 109.929 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.4 mmt -78.58 -48.5 15.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.629 -0.714 . . . . 1.68 111.068 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.26 77.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.002 0.371 . . . . 0.49 112.002 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.625 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -61.71 -51.51 68.11 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.243 -0.651 . . . . 2.41 109.243 178.659 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 1.4 mptm? -71.59 -24.05 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.723 -0.671 . . . . 3.63 111.078 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -81.79 -5.46 58.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.963 0.411 . . . . 0.66 110.743 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.2 m120 62.68 31.8 16.52 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.274 -0.875 . . . . 2.18 111.026 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 45' ' ' ALA . 62.3 mt -86.66 138.34 31.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.78 -0.645 . . . . 0.59 109.886 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.7 mt -74.36 97.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.375 -0.602 . . . . 0.53 109.375 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HA ' HG13 ' A' ' 25' ' ' VAL . 58.0 tp -86.18 125.14 33.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.702 -0.681 . . . . 1.14 110.891 -177.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mt -118.61 99.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.282 -0.636 . . . . 0.94 109.282 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 m -84.83 120.26 26.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.964 -0.562 . . . . 1.17 110.516 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.415 HG23 HD12 ' A' ' 28' ' ' LEU . 3.7 m -135.73 164.97 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.748 -0.205 . . . . 1.38 110.707 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -148.82 96.67 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.242 -0.98 . . . . 1.24 112.572 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.9 t70 143.22 153.87 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.673 1.589 . . . . 1.98 108.321 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -62.78 -44.95 94.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.891 0.376 . . . . 2.21 110.879 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 75.7 mm-40 -70.14 -28.89 65.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.028 -0.533 . . . . 2.04 109.982 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -71.16 -33.78 70.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.53 . . . . 2.16 110.679 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.533 ' HB2' HD13 ' A' ' 28' ' ' LEU . 35.9 tp -65.91 -30.55 71.16 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.383 -0.599 . . . . 0.83 109.383 174.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.22 -18.82 64.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.365 0.602 . . . . 2.26 111.126 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 26.1 mmtp -84.37 -33.86 23.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.574 -0.739 . . . . 2.35 109.594 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.78 -43.51 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.789 . . . . 0.47 110.702 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.02 -50.1 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.83 110.745 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -65.93 -30.54 71.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.46 -0.336 . . . . 2.76 110.455 179.664 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HB2' ' NZ ' ' A' ' 64' ' ' LYS . 4.2 ttmp? -67.8 -50.77 55.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 2.11 110.243 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.0 93.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.38 110.472 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.34 -46.67 76.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.661 -0.7 . . . . 1.36 110.809 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.06 -48.47 68.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.709 -0.678 . . . . 1.68 111.456 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 76.6 mt -61.99 -38.07 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.034 0.445 . . . . 0.51 110.682 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.54 -57.2 10.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.53 110.711 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 92.0 mttt -63.88 -24.88 67.91 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.234 -0.439 . . . . 1.5 111.415 -177.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 68' ' ' ILE . 59.0 tttm -51.75 -47.01 64.26 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 109.355 -0.609 . . . . 2.71 109.355 174.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -127.48 -58.01 1.27 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.184 1.55 . . . . 2.22 115.184 -175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.735 ' OD1' ' HA ' ' A' ' 21' ' ' MET . 5.4 t-20 -118.23 15.1 14.0 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 114.878 1.436 . . . . 2.41 114.878 -160.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' A' ' 70' ' ' LYS . 22.0 t -60.65 6.87 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.032 1.123 . . . . 3.38 114.032 -172.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 p -57.66 -36.34 71.76 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.044 -0.725 . . . . 2.75 109.044 168.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -143.38 114.23 7.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.366 -0.834 . . . . 2.76 109.281 167.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.511 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . -118.81 109.84 16.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.174 -0.466 . . . . 0.71 110.34 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . 43.4 mttp -98.42 122.6 41.81 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.109 -0.496 . . . . 1.67 110.189 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 49.0 mt -124.98 134.46 66.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.991 -0.55 . . . . 0.49 109.932 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.0 tp -113.25 112.32 23.53 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.959 -0.385 . . . . 1.4 109.959 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.555 HG22 HD22 ' A' ' 83' ' ' LEU . 81.2 mt -101.0 112.78 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.743 -0.383 . . . . 0.38 110.076 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 91.9 mt -93.15 112.07 23.9 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.879 -0.415 . . . . 1.61 109.879 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.722 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.6 pt? -138.55 139.59 38.74 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.353 -0.24 . . . . 1.17 110.353 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 7.2 pt-20 -86.32 99.62 11.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 118.916 -1.114 . . . . 2.04 108.678 170.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 89.2 mttt -170.18 146.03 2.45 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 114.104 -1.407 . . . . 2.02 108.333 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.21 118.62 5.79 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.854 1.703 . . . . 0.85 110.741 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.5 m -114.71 135.32 54.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.284 0.564 . . . . 1.17 111.904 -172.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 m -101.06 157.53 33.49 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.604 -0.726 . . . . 1.44 110.012 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -49.18 -46.55 25.29 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.488 2.125 . . . . 1.14 112.369 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 42.8 tt0 -62.19 -35.23 78.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.029 -0.532 . . . . 2.43 110.973 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.93 -40.49 95.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.964 -0.384 . . . . 3.78 109.964 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.26 -45.32 93.7 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.965 -0.561 . . . . 1.46 110.184 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 42.6 mmtm -71.84 -18.14 62.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.629 -0.714 . . . . 3.25 111.773 -176.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 30.4 mtpp -76.47 -43.32 40.28 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.976 -0.379 . . . . 2.44 109.976 174.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.16 -35.03 68.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.37 0.605 . . . . 1.14 109.522 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.431 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 39.3 tt0 -70.17 -17.19 63.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.027 -0.988 . . . . 2.2 109.66 176.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.7 -40.82 24.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 2.87 110.523 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -64.76 -42.21 95.32 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.198 -0.456 . . . . 3.64 110.679 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.08 119.37 36.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.534 -0.543 . . . . 0.6 109.534 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -72.1 103.09 3.18 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.758 0.79 . . . . 1.77 108.894 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -172.59 -167.95 0.48 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.085 -1.416 . . . . 0.5 109.303 -172.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -124.63 88.03 2.82 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.668 0.746 . . . . 1.77 109.049 172.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 7.4 p -89.85 138.29 19.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.255 -0.884 . . . . 1.05 110.445 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -104.84 100.46 10.08 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.893 -0.78 . . . . 2.71 108.893 173.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.38 124.12 32.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 119.798 -0.761 . . . . 0.71 109.21 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -125.06 135.07 52.37 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.29 -0.414 . . . . 2.63 110.964 -174.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 8.9 t -84.48 126.46 33.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.299 0.571 . . . . 0.64 110.332 177.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.58 ' O ' ' HB3' ' A' ' 84' ' ' GLU . 4.9 p -124.44 116.82 48.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.291 0.567 . . . . 1.34 111.562 -177.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.5 t -126.12 6.87 7.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.265 0.555 . . . . 1.22 110.235 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.4 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 50.7 m -154.2 135.13 8.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 0.93 110.031 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.66 -38.24 84.27 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.512 2.808 . . . . 0.6 113.479 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.423 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 38.5 m-20 -70.04 -40.72 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.642 0.258 . . . . 2.04 110.946 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 32.9 mm-40 -62.61 -40.39 96.8 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.787 -0.449 . . . . 2.21 109.787 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' HB2' ' CG2' ' A' ' 108' ' ' VAL . . . -58.24 -48.07 81.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.838 -0.619 . . . . 0.48 110.667 177.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.423 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 57.3 mtmt -61.64 -32.44 72.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 1.53 110.93 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.438 ' HD3' ' C ' ' A' ' 116' ' ' ARG . 1.9 tmt_? -68.32 -43.7 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 4.21 109.882 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -61.96 -44.02 97.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.99 110.745 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 114' ' ' ALA . 93.0 mt -61.5 -41.92 91.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.761 -0.654 . . . . 0.57 111.106 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -63.88 -43.17 96.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.486 -0.325 . . . . 2.66 110.356 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -60.81 -43.41 98.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.141 0.496 . . . . 2.48 110.82 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 78' ' ' LYS . 77.6 t80 -67.25 -44.57 79.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.581 -0.736 . . . . 1.43 111.53 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.0 m -71.03 -39.51 72.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.056 -0.52 . . . . 1.31 110.493 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -110.26 74.78 0.9 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.742 -0.663 . . . . 2.53 110.238 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.582 -0.723 . . . . 2.76 111.192 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.861 -0.422 . . . . 2.17 109.861 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.607 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -64.78 121.95 15.76 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.814 -0.354 . . . . 0.82 110.422 177.448 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 63.5 mt -111.41 105.6 14.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.3 0.572 . . . . 0.39 110.882 -176.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 22' ' ' THR . 58.3 m-85 -103.99 143.97 32.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.657 -0.701 . . . . 1.3 109.608 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.48 HG13 ' HA ' ' A' ' 49' ' ' LEU . 2.7 p -131.57 116.58 32.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.657 0.742 . . . . 1.08 110.531 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD23 HD12 ' A' ' 58' ' ' LEU . 6.6 mp -102.92 156.92 17.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.945 -1.025 . . . . 1.18 108.424 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.8 tt -150.25 124.28 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 121.019 -0.272 . . . . 0.55 111.192 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -114.67 79.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.982 -0.747 . . . . 1.24 108.982 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 t -149.56 144.05 25.98 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.903 -1.044 . . . . 1.27 108.483 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -124.86 88.17 2.84 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.576 -1.249 . . . . 2.75 110.773 168.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.491 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 28.5 t70 -119.36 137.39 53.75 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.876 -1.056 . . . . 1.57 108.246 162.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.57 -35.33 80.14 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 111.859 0.318 . . . . 2.93 111.859 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -85.52 -44.01 13.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.682 0.277 . . . . 3.44 110.635 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 6.3 tt -55.65 -48.51 74.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.948 -0.569 . . . . 1.46 110.434 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.58 -42.62 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.69 110.869 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 43.7 mm-40 -61.37 -56.89 15.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 2.15 111.123 176.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 43.3 mm-40 -59.94 -38.17 81.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.234 -0.439 . . . . 2.05 111.53 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.95 87.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.38 . . . . 0.51 110.744 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 15.0 ttm-85 -62.42 -45.07 94.78 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.378 -0.374 . . . . 2.96 110.659 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 98.1 mttt -53.17 -36.13 60.57 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.367 0.417 . . . . 1.88 111.698 -175.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 96.5 mmm -70.1 -53.32 17.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.528 -0.305 . . . . 1.68 110.964 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.58 64.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.706 0.289 . . . . 0.49 111.237 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -63.18 -53.48 52.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.733 -0.839 . . . . 2.41 108.733 177.08 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 44' ' ' LYS . 7.8 tmtm? -66.26 -37.52 85.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.956 -1.02 . . . . 3.63 109.946 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.97 -8.37 56.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.66 111.937 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.9 m120 61.91 43.84 8.89 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.693 -0.685 . . . . 2.18 111.497 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.8 mt -95.11 -179.32 4.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.946 -0.57 . . . . 0.59 109.929 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.8 mt -106.85 96.04 4.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.635 -0.506 . . . . 0.53 109.635 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.48 ' HA ' HG13 ' A' ' 25' ' ' VAL . 51.4 tp -93.63 123.81 37.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.751 -0.659 . . . . 1.14 110.935 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.7 102.55 14.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.298 -0.631 . . . . 0.94 109.298 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -77.05 99.74 5.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.27 0.557 . . . . 1.17 110.871 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -111.43 -170.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.683 . . . . 1.38 110.833 -178.533 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 54' ' ' ASP . . . -159.56 103.98 0.24 Allowed Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.948 -0.644 . . . . 1.24 112.111 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' ' 53' ' ' GLY . 24.5 t70 100.22 156.41 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.097 1.359 . . . . 1.98 110.815 174.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 42.6 mt-10 -56.72 -34.86 67.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.714 0.292 . . . . 2.21 111.656 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.92 -39.71 79.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.878 0.37 . . . . 2.04 110.55 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -67.75 -30.77 70.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 2.16 110.075 175.295 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.554 HD12 HD23 ' A' ' 26' ' ' LEU . 23.2 tp -60.95 -41.54 96.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.557 -0.747 . . . . 0.83 110.417 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 33.9 mtmt -55.69 -37.79 68.79 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.767 0.794 . . . . 2.26 110.893 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 22.0 mtpp -76.75 -42.96 39.05 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.434 -1.257 . . . . 2.35 110.987 -176.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -63.47 -37.31 86.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.147 0.499 . . . . 0.47 109.879 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.689 HG23 ' HB2' ' A' ' 99' ' ' ALA . 20.3 mt -56.36 -49.74 75.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.083 -0.962 . . . . 0.83 111.634 177.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -67.55 -38.51 84.24 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.958 -0.297 . . . . 2.76 110.645 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 55.4 mtmt -64.76 -38.0 89.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.785 0.326 . . . . 2.11 110.588 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.52 69.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.005 0.431 . . . . 0.38 110.48 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -33.0 72.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.575 -0.739 . . . . 1.36 111.019 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 6.7 m-20 -67.06 -60.29 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.424 -0.353 . . . . 1.68 111.091 174.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.36 -37.83 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.22 -0.445 . . . . 0.51 111.345 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.506 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -55.58 -48.56 74.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.297 0.57 . . . . 0.53 111.355 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 91.0 mttt -86.32 -10.33 54.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.293 -0.867 . . . . 1.5 112.356 -170.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 68.3 mttm -68.67 -34.15 75.19 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.414 -0.587 . . . . 2.71 109.414 172.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -126.71 -53.5 1.44 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.881 1.437 . . . . 2.22 114.881 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -113.64 15.78 18.78 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.1 1.148 . . . . 2.41 114.1 -162.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.571 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -55.6 0.04 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 115.277 1.584 . . . . 3.38 115.277 -172.504 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.1 t -50.38 -39.03 45.66 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.894 -0.78 . . . . 2.75 108.894 169.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -170.08 140.25 1.95 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.189 -0.914 . . . . 2.76 109.098 170.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.12 142.0 40.16 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.187 -0.461 . . . . 0.71 110.619 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -126.43 136.44 52.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.237 -0.438 . . . . 1.67 110.102 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.42 ' HB ' HG22 ' A' ' 103' ' ' VAL . 68.3 mt -122.09 120.62 61.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.989 -0.55 . . . . 0.49 110.197 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.547 HD22 HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -95.56 124.59 39.67 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.627 -0.879 . . . . 1.4 108.627 175.833 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.66 ' HB ' HG12 ' A' ' 105' ' ' VAL . 72.9 mt -116.09 101.26 11.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 120.937 0.399 . . . . 0.38 110.319 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.547 HD12 HD22 ' A' ' 80' ' ' LEU . 8.7 mp -81.57 128.14 33.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.997 -0.547 . . . . 1.61 109.827 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.2 pt? -152.59 149.78 28.82 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 110.04 -0.356 . . . . 1.17 110.04 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -104.48 101.08 10.76 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 121.987 0.899 . . . . 2.04 110.012 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HD3' HD12 ' A' ' 83' ' ' LEU . 21.6 ptmt -172.5 165.23 3.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 114.342 -1.299 . . . . 2.02 108.669 172.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.28 123.52 10.66 Favored 'Trans proline' 0 CA--C 1.516 -0.401 0 C-N-CA 122.319 2.013 . . . . 0.85 111.773 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.434 HG11 HG23 ' A' ' 105' ' ' VAL . 84.3 t -132.47 119.03 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.593 -0.731 . . . . 1.17 111.27 -176.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 p -99.89 166.36 12.92 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.434 -0.58 . . . . 1.44 109.434 173.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -46.64 -41.54 24.12 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.667 2.245 . . . . 1.14 113.322 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 31.7 tt0 -56.86 -36.07 69.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.345 -0.389 . . . . 2.43 111.078 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -69.9 -41.23 74.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.427 -0.351 . . . . 3.78 111.275 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.05 -35.52 71.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.332 0.587 . . . . 1.46 110.189 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.554 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 60.9 tttp -69.24 -34.39 74.73 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.384 -0.826 . . . . 3.25 110.155 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 62.4 mttm -63.08 -42.67 99.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.136 0.493 . . . . 2.44 109.89 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.474 ' HG ' HG11 ' A' ' 105' ' ' VAL . 3.9 mm? -72.03 -36.23 69.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.823 -0.626 . . . . 1.14 110.739 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -64.11 -25.92 68.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.954 0.407 . . . . 2.2 110.086 172.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 61.7 mtpt -74.4 -40.5 61.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 2.87 111.556 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -71.86 -51.48 22.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.864 0.364 . . . . 3.64 111.049 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.689 ' HB2' HG23 ' A' ' 62' ' ' ILE . . . -94.88 132.54 39.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.294 -0.412 . . . . 0.6 110.448 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -90.29 95.61 10.27 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 118.858 -1.137 . . . . 1.77 109.11 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.12 -177.81 0.62 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.385 -1.734 . . . . 0.5 107.67 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -87.78 91.49 8.77 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.667 -0.813 . . . . 1.77 109.417 170.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.454 HG11 ' HB3' ' A' ' 95' ' ' LEU . 7.4 t -82.27 134.25 27.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.367 -0.833 . . . . 1.05 111.308 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.477 ' O ' HD23 ' A' ' 80' ' ' LEU . 57.5 mtm180 -127.16 105.11 8.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.609 -0.723 . . . . 2.71 109.274 172.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.66 HG12 ' HB ' ' A' ' 81' ' ' ILE . 27.6 m -88.55 111.11 22.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-O 121.588 0.708 . . . . 0.71 110.2 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.637 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 6.4 mmp_? -104.33 119.22 38.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.913 -0.585 . . . . 2.63 110.411 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 6.4 t -77.13 99.4 5.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.848 0.832 . . . . 0.64 109.948 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -94.41 145.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.71 -0.677 . . . . 1.34 110.605 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -127.85 -9.86 5.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.002 -0.545 . . . . 1.22 111.516 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -155.31 154.87 29.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 119.572 -0.252 . . . . 0.93 110.917 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 80.3 Cg_exo -45.78 -51.52 8.13 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.208 2.605 . . . . 0.6 113.344 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.94 -30.15 68.87 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.436 -0.347 . . . . 2.04 111.677 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -69.54 -41.26 76.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.916 0.388 . . . . 2.21 109.977 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.52 -46.19 91.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 0.48 110.505 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 46.6 mtpt -65.27 -30.73 71.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.584 -0.734 . . . . 1.53 110.923 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.449 ' NH2' ' HD3' ' A' ' 119' ' ' LYS . 6.6 tpm_? -60.65 -49.16 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 4.21 110.841 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -77.48 -38.06 49.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.968 -0.56 . . . . 0.99 111.651 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.12 -29.49 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.032 0.444 . . . . 0.57 110.657 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HD3' ' NH2' ' A' ' 116' ' ' ARG . 63.5 tttp -67.73 -52.56 36.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 2.66 111.106 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -19.26 63.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 2.48 111.02 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 34.3 t80 -71.5 -35.57 70.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.138 -0.483 . . . . 1.43 110.592 177.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 p -96.25 -9.09 31.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.876 -0.602 . . . . 1.31 111.025 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -125.28 79.06 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.138 -0.483 . . . . 2.53 110.817 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.664 -0.684 . . . . 2.76 109.871 175.207 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.56 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 53.1 ttp . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.272 -0.27 . . . . 2.17 110.272 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 m -102.96 139.64 38.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.811 0.339 . . . . 0.82 110.211 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' HB2' HD22 ' A' ' 47' ' ' LEU . 75.6 mt -109.44 125.23 52.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.093 -0.503 . . . . 0.39 110.448 -177.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 54.7 m-85 -115.81 147.51 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.194 -0.457 . . . . 1.3 110.461 -178.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 t -132.84 117.67 30.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.332 -0.395 . . . . 1.08 110.168 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.32 159.75 14.74 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.532 -1.285 . . . . 1.18 107.532 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.714 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 15.9 tt -150.32 122.95 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.07 -0.652 . . . . 0.55 111.828 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 58' ' ' LEU . 2.5 mp -110.41 80.08 1.27 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.666 -0.864 . . . . 1.24 108.666 167.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 67.1 m -149.22 144.41 26.53 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.263 -1.335 . . . . 1.27 108.805 175.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -144.75 90.41 2.07 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 118.732 -1.187 . . . . 2.75 112.335 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.573 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 9.6 t70 -118.06 142.44 47.39 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.721 -1.585 . . . . 1.57 106.721 155.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 13.4 mptt -58.59 -46.74 86.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 119.116 0.871 . . . . 2.93 110.871 -175.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -70.11 -42.51 72.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 3.44 110.33 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.573 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 46.2 tp -52.0 -52.0 53.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.405 -0.816 . . . . 1.46 111.152 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.26 -35.5 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.908 -0.587 . . . . 0.69 110.93 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 49.1 mt-10 -61.38 -62.44 1.83 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.575 -0.284 . . . . 2.15 110.304 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.456 ' HB3' ' HD3' ' A' ' 115' ' ' LYS . 44.7 mt-10 -57.97 -33.07 68.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 2.05 111.192 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.57 -55.64 14.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 0.51 110.957 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 41.5 ttm180 -65.75 -41.43 92.16 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.629 -0.428 . . . . 2.96 111.009 -177.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 66.2 mttm -48.48 -40.26 25.87 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.211 0.319 . . . . 1.88 111.65 -177.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.544 ' SD ' ' HD3' ' A' ' 119' ' ' LYS . 16.8 mmt -70.32 -47.76 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.331 -0.395 . . . . 1.68 111.065 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -71.22 -26.98 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.028 0.442 . . . . 0.49 110.908 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.71 -40.51 88.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.913 0.863 . . . . 2.41 109.032 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -78.63 -34.85 46.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.433 -1.258 . . . . 3.63 110.828 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB1' ' OG ' ' A' ' 122' ' ' SER . . . -83.5 -5.33 59.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.713 -0.676 . . . . 0.66 111.769 -176.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 61.42 46.79 7.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.514 -0.766 . . . . 2.18 111.296 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 35.0 mt -101.3 155.21 18.17 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.711 -0.478 . . . . 0.59 109.711 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.6 mt -86.45 89.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.483 0.658 . . . . 0.53 109.886 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 48.7 tp -95.15 120.91 36.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.016 -0.993 . . . . 1.14 110.271 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.9 mt -111.03 103.37 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.628 -0.508 . . . . 0.94 109.628 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.434 ' HA ' ' CG2' ' A' ' 27' ' ' ILE . 3.3 m -83.0 108.95 16.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 1.17 110.64 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -123.24 -177.38 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.388 -0.597 . . . . 1.38 109.388 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -163.09 93.26 0.11 Allowed Glycine 0 N--CA 1.44 -1.059 0 C-N-CA 120.122 -1.037 . . . . 1.24 111.972 171.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 32.5 t70 164.83 150.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 124.245 1.018 . . . . 1.98 108.592 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -65.14 -42.34 93.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.191 0.441 . . . . 2.21 112.191 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 28.8 mm-40 -80.86 -39.2 26.87 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.157 -0.474 . . . . 2.04 110.11 -176.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 54' ' ' ASP . 41.3 tt0 -59.89 -34.08 72.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 2.16 110.643 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 28' ' ' LEU . 63.4 tp -59.54 -42.11 91.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.83 110.371 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -66.26 -20.06 66.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.604 . . . . 2.26 110.919 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 5.5 mmmm -86.58 -47.05 9.56 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.321 -0.854 . . . . 2.35 109.95 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.42 99.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.482 -0.781 . . . . 0.47 110.456 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.6 mt -58.4 -45.53 89.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.405 -0.816 . . . . 0.83 111.082 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -67.77 -32.29 72.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 2.76 110.414 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.606 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.7 tttp -61.39 -48.7 80.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 2.11 110.019 173.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.27 92.17 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.073 -0.512 . . . . 0.38 110.542 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -54.74 -49.46 70.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.315 -0.857 . . . . 1.36 110.505 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 29.7 t70 -63.6 -48.18 78.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.521 -0.763 . . . . 1.68 111.658 -178.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 64' ' ' LYS . 82.8 mt -53.3 -49.23 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.911 0.386 . . . . 0.51 111.526 -175.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -75.53 -48.7 21.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.53 111.663 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 35.5 ttmt -61.03 -28.81 69.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.766 0.654 . . . . 1.5 112.766 -170.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 64.0 mtpt -58.91 -38.81 79.78 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.612 -0.435 . . . . 2.71 110.468 178.23 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 73' ' ' ASN . 12.7 pm0 -125.26 -52.54 1.63 Allowed 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.503 1.297 . . . . 2.22 114.503 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.417 ' N ' ' HG2' ' A' ' 72' ' ' GLN . 2.2 p-10 -112.09 13.45 20.64 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 114.935 1.457 . . . . 2.41 114.935 -159.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.58 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 3.1 p -65.55 14.21 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.583 0.957 . . . . 3.38 113.583 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -58.22 -33.46 69.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.318 -0.623 . . . . 2.75 109.318 170.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -166.24 100.51 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.064 -0.971 . . . . 2.76 109.469 172.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . -119.1 141.23 48.97 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.046 -0.525 . . . . 0.71 109.83 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.56 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 54.7 mtmt -124.66 136.79 54.21 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.894 -0.41 . . . . 1.67 109.894 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.1 mt -133.18 136.61 54.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.074 -0.512 . . . . 0.49 111.096 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.5 mt -105.87 142.2 35.99 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 109.9 -0.407 . . . . 1.4 109.9 171.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.438 HD13 HG12 ' A' ' 105' ' ' VAL . 4.5 mp -114.59 97.72 6.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.2 -1.037 . . . . 0.38 108.2 163.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.714 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.2 tm? -75.77 111.02 10.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.865 -1.061 . . . . 1.61 108.834 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.8 158.13 43.91 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.84 -0.537 . . . . 1.17 111.959 -175.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.65 101.77 11.39 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.125 -1.065 . . . . 2.04 108.125 173.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -175.81 148.38 0.97 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.821 -1.081 . . . . 2.02 108.527 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -67.27 118.76 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.703 1.602 . . . . 0.85 110.68 170.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.43 138.94 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.146 0.498 . . . . 1.17 111.626 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -100.89 150.28 36.9 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.874 -0.603 . . . . 1.44 110.203 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.29 -45.57 33.18 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.399 2.066 . . . . 1.14 112.362 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -60.42 -40.57 91.49 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.183 -0.462 . . . . 2.43 110.232 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -60.81 -36.62 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 3.78 110.896 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.7 -32.76 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.08 0.467 . . . . 1.46 111.126 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -73.69 -21.94 60.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.379 -0.601 . . . . 3.25 109.379 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -68.1 -33.6 74.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.878 -0.601 . . . . 2.44 110.138 174.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.423 ' CB ' HG11 ' A' ' 103' ' ' VAL . 3.3 mm? -75.27 -33.84 61.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.941 -0.392 . . . . 1.14 109.941 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.461 ' HG2' ' H ' ' A' ' 103' ' ' VAL . 60.9 mt-30 -66.09 -25.45 67.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.441 0.639 . . . . 2.2 109.51 171.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -76.15 -29.42 57.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 2.87 111.118 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -73.48 -50.53 21.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.851 0.358 . . . . 3.64 110.957 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.32 129.36 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.058 -0.519 . . . . 0.6 110.126 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -83.66 101.43 11.51 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.754 -0.832 . . . . 1.77 108.754 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -175.62 -169.62 0.36 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.148 -1.387 . . . . 0.5 107.278 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -97.33 88.98 4.58 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 119.56 -0.856 . . . . 1.77 108.919 171.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.461 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -84.42 123.85 39.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.77 -1.105 . . . . 1.05 110.639 -178.728 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -120.61 108.79 14.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.462 -0.79 . . . . 2.71 109.087 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.438 HG12 HD13 ' A' ' 81' ' ' ILE . 28.3 m -81.1 133.85 28.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-O 120.987 0.422 . . . . 0.71 109.916 -178.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.515 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 11.9 mmm180 -113.89 112.79 23.92 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.868 -0.333 . . . . 2.63 110.157 -175.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.3 t -84.14 134.78 34.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.119 -0.491 . . . . 0.64 109.961 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.44 157.01 42.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.208 0.527 . . . . 1.34 111.396 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.7 p -128.4 -13.06 4.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.355 -0.838 . . . . 1.22 110.37 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 56.4 m -153.72 148.25 19.4 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.014 -0.539 . . . . 0.93 110.22 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.567 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 74.9 Cg_exo -52.8 -29.59 43.39 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 124.389 3.393 . . . . 0.6 114.27 -173.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.518 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 6.2 m-20 -63.82 -42.82 97.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.442 -0.344 . . . . 2.04 111.309 -176.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 13.4 mm-40 -77.38 -30.29 53.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.441 -0.345 . . . . 2.21 110.163 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.27 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.48 110.587 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 64.5 pttt -67.92 -26.79 66.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.035 -0.53 . . . . 1.53 110.307 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 113' ' ' GLU . 72.9 ttt180 -60.42 -57.45 12.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.669 -0.696 . . . . 4.21 111.417 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.515 ' CD1' ' HB3' ' A' ' 106' ' ' ARG . 9.3 m95 -57.78 -38.56 75.66 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.449 -0.341 . . . . 0.99 111.194 -174.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.69 -42.63 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.57 111.643 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.544 ' HD3' ' SD ' ' A' ' 41' ' ' MET . 9.3 mtmp? -70.42 -42.74 71.2 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.97 -0.292 . . . . 2.66 111.169 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -67.9 -28.96 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.735 0.303 . . . . 2.48 110.669 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -74.97 -30.96 61.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.86 -0.609 . . . . 1.43 110.891 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.479 ' OG ' ' HB1' ' A' ' 45' ' ' ALA . 33.6 t -79.32 -38.51 35.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.978 -0.555 . . . . 1.31 110.386 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.9 74.95 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.182 -0.463 . . . . 2.53 110.321 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.019 -0.991 . . . . 2.76 110.376 175.777 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.22 -0.289 . . . . 2.17 110.22 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 m -89.12 138.92 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.987 -0.285 . . . . 0.82 110.27 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 58.2 mt -108.63 112.22 24.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.271 -0.422 . . . . 0.39 110.398 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' HB2' HG12 ' A' ' 79' ' ' ILE . 48.9 m-85 -105.88 148.75 27.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 1.3 109.532 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -137.19 132.84 46.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-O 121.635 0.731 . . . . 1.08 110.988 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 HD12 ' A' ' 58' ' ' LEU . 9.4 mp -116.53 158.6 23.39 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.734 -1.121 . . . . 1.18 109.106 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.4 tt -150.54 111.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.466 -0.333 . . . . 0.55 110.233 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.592 HD13 ' HB2' ' A' ' 58' ' ' LEU . 10.2 tp -98.88 78.31 2.29 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.828 0.823 . . . . 1.24 109.028 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -150.71 144.87 25.44 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.639 -1.164 . . . . 1.27 108.193 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.45 ' HA ' HD11 ' A' ' 35' ' ' ILE . 18.3 m120 -121.7 86.08 2.52 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 117.975 -1.49 . . . . 2.75 110.19 166.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 21.2 t70 -120.84 130.25 53.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.639 -1.164 . . . . 1.57 108.694 164.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 46.4 mttp -62.42 -29.64 70.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.604 0.594 . . . . 2.93 112.604 -176.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -84.53 -47.43 10.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.916 0.389 . . . . 3.44 110.66 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.587 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 18.0 tp -57.72 -50.04 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 1.46 111.478 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.45 HD11 ' HA ' ' A' ' 30' ' ' ASN . 63.6 mt -59.54 -39.86 80.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.363 -0.38 . . . . 0.69 111.327 -176.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 47.8 mm-40 -58.4 -56.92 15.9 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.969 -0.292 . . . . 2.15 110.996 177.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -62.09 -40.62 96.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.766 0.317 . . . . 2.05 111.125 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.74 94.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.51 110.686 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -67.27 -48.8 66.63 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 120.509 -0.476 . . . . 2.96 110.875 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 94.8 mttt -48.93 -47.87 43.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.152 0.501 . . . . 1.88 110.955 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 tpt -62.28 -43.05 99.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.535 -0.757 . . . . 1.68 111.958 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -85.66 -29.73 23.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.49 111.502 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.46 -44.86 95.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.946 -0.57 . . . . 2.41 109.976 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -11.47 57.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.846 -0.615 . . . . 3.63 111.343 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.38 2.06 54.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.936 0.398 . . . . 0.66 110.538 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.6 40.18 20.49 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.287 -0.87 . . . . 2.18 110.759 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.408 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 21.8 mt -95.98 156.68 16.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.932 -0.576 . . . . 0.59 109.662 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.9 mt -90.29 92.82 4.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.338 0.589 . . . . 0.53 109.512 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.1 tp -91.25 128.88 37.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 1.14 110.762 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.76 98.91 6.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.234 -0.654 . . . . 0.94 109.234 175.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -80.17 119.83 23.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.029 -0.532 . . . . 1.17 110.455 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.473 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 3.4 m -135.38 140.26 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.325 -0.398 . . . . 1.38 110.536 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -129.54 95.38 0.36 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 119.76 -1.21 . . . . 1.24 112.392 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 17.1 t70 152.83 145.63 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.121 1.368 . . . . 1.98 108.42 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -49.52 66.31 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.05 0.452 . . . . 2.21 111.493 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 11.4 mm-40 -67.77 -33.83 75.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.839 -0.619 . . . . 2.04 110.712 -175.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 22.7 mm-40 -64.21 -30.84 71.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 2.16 111.732 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.592 ' HB2' HD13 ' A' ' 28' ' ' LEU . 33.9 tp -63.61 -39.06 93.4 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.479 -0.563 . . . . 0.83 109.479 176.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -60.48 -30.44 69.69 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.445 0.641 . . . . 2.26 110.616 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 6.1 mmmm -76.66 -44.93 31.85 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.953 -1.021 . . . . 2.35 110.458 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.95 96.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 0.47 110.217 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -58.06 -47.85 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.37 -0.832 . . . . 0.83 110.805 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -71.32 -32.34 68.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.484 -0.326 . . . . 2.76 111.075 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -64.17 -44.78 91.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 2.11 109.979 176.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.41 99.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.38 110.232 175.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.76 -40.96 69.9 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.407 -0.815 . . . . 1.36 110.901 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.55 -49.91 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 1.68 111.457 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.54 -39.14 81.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.788 0.327 . . . . 0.51 111.003 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.6 -58.08 10.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.53 110.821 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.63 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 90.2 mttt -63.89 -31.9 73.24 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.21 -0.45 . . . . 1.5 111.419 -177.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -49.88 -44.59 50.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.908 -0.587 . . . . 2.71 110.264 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 9.9 pt20 -125.3 -55.39 1.56 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.685 1.365 . . . . 2.22 114.685 -176.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 72' ' ' GLN . 1.7 t-20 -117.02 15.61 15.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 115.243 1.572 . . . . 2.41 115.243 -159.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 3.9 p -60.32 12.67 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 115.242 1.571 . . . . 3.38 115.242 -172.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 m -61.81 -36.58 81.56 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.595 -0.891 . . . . 2.75 108.595 168.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -157.35 112.19 2.73 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.965 -1.016 . . . . 2.76 109.352 173.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.95 127.2 56.15 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.266 -0.424 . . . . 0.71 109.999 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -118.94 122.1 41.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.991 0.424 . . . . 1.67 109.87 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 46.2 mt -119.31 140.3 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.847 -0.615 . . . . 0.49 110.362 -176.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.04 115.24 28.04 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.858 -0.793 . . . . 1.4 108.858 173.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.1 mt -104.1 105.74 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.072 0.463 . . . . 0.38 110.883 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 106' ' ' ARG . 73.3 mt -88.37 143.48 26.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.015 -0.735 . . . . 1.61 109.015 173.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -167.28 166.81 14.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.377 -0.231 . . . . 1.17 110.377 177.706 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 29.0 mt-10 -102.75 102.19 12.33 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.2 -1.037 . . . . 2.04 108.2 169.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -174.6 132.24 0.49 Allowed Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.156 -0.475 . . . . 2.02 110.125 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.35 117.7 4.72 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.562 1.508 . . . . 0.85 109.852 168.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.6 m -121.15 128.07 75.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.189 0.519 . . . . 1.17 112.165 -173.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 m -91.92 156.93 42.05 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.837 -0.619 . . . . 1.44 109.529 174.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -45.55 -41.41 18.55 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.118 2.545 . . . . 1.14 113.787 -176.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 42.3 mt-10 -62.71 -32.9 74.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.441 -0.345 . . . . 2.43 111.697 -178.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -69.04 -30.65 69.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 3.78 110.709 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -68.02 -38.7 82.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.393 -0.595 . . . . 1.46 109.393 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -73.39 -27.05 61.26 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.525 -0.761 . . . . 3.25 110.672 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 30.3 mtpp -62.34 -51.29 68.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.077 0.465 . . . . 2.44 109.79 174.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.8 mt -69.71 -36.09 75.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.623 . . . . 1.14 110.343 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -66.09 -24.58 66.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.698 -0.683 . . . . 2.2 110.046 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -80.38 -29.01 37.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.249 -0.432 . . . . 2.87 111.365 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.89 -46.35 45.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 3.64 110.838 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.06 133.87 51.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.095 -0.502 . . . . 0.6 109.964 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.53 101.64 5.73 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.61 -0.885 . . . . 1.77 108.61 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.67 -177.31 0.96 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.259 -1.337 . . . . 0.5 108.568 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 5.2 pt-20 -115.6 89.66 3.15 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.751 0.786 . . . . 1.77 109.239 169.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 9.9 p -86.33 144.82 8.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.718 -0.674 . . . . 1.05 110.713 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.34 116.0 27.54 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.361 -0.977 . . . . 2.71 108.361 170.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.5 m -87.47 134.35 27.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 120.42 -0.512 . . . . 0.71 109.738 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.581 ' HB2' HD23 ' A' ' 82' ' ' LEU . 29.8 mmt180 -132.49 137.74 47.31 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.302 -0.259 . . . . 2.63 110.302 -178.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 10.0 t -91.01 128.96 37.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.211 0.529 . . . . 0.64 109.843 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 13.2 m -117.83 107.76 22.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.66 0.743 . . . . 1.34 110.931 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.8 p -105.01 1.88 29.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.692 -0.685 . . . . 1.22 110.717 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.6 m -154.22 152.26 26.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.829 -0.623 . . . . 0.93 109.928 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 78.5 Cg_exo -51.78 -45.51 37.8 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.638 2.226 . . . . 0.6 112.726 -178.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.453 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 8.9 m-20 -60.84 -32.34 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.675 -0.693 . . . . 2.04 111.811 -175.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -56.7 -44.02 81.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.391 . . . . 2.21 110.742 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.92 -58.11 8.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.532 -0.758 . . . . 0.48 111.731 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 65.6 pttt -64.59 -28.68 69.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 1.53 111.281 -174.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -62.8 -49.75 73.72 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.117 -0.492 . . . . 4.21 110.699 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -63.46 -42.77 98.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.171 -0.468 . . . . 0.99 110.439 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.6 mt -56.82 -38.61 59.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.806 -0.634 . . . . 0.57 111.337 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -59.16 -45.21 91.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 2.66 111.133 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -80.89 -18.5 47.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.17 -0.468 . . . . 2.48 111.248 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 80.7 t80 -81.11 -42.2 21.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.946 -0.57 . . . . 1.43 111.169 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.5 p -77.12 -43.79 32.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.539 -0.301 . . . . 1.31 111.07 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.09 109.93 21.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.68 0.276 . . . . 2.53 110.501 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.474 -0.774 . . . . 2.76 109.786 175.765 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.544 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 1.5 pmm? . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.598 0.237 . . . . 2.17 110.71 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 13.2 m -95.62 143.38 26.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.688 -0.486 . . . . 0.82 109.688 172.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.37 114.23 28.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.019 0.438 . . . . 0.39 110.743 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 65.6 m-85 -109.77 136.71 48.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.925 -0.58 . . . . 1.3 109.826 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.61 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 91.2 t -117.96 128.63 75.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.452 0.644 . . . . 1.08 110.334 176.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD23 HD12 ' A' ' 58' ' ' LEU . 11.2 mp -114.01 151.77 31.93 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.489 -0.93 . . . . 1.18 108.489 173.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.7 tt -143.0 117.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 109.82 -0.437 . . . . 0.55 109.82 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 58' ' ' LEU . 7.8 tp -111.56 79.72 1.24 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.809 0.814 . . . . 1.24 109.462 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -149.37 144.13 26.21 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 107.442 -1.318 . . . . 1.27 107.442 171.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -113.8 84.94 2.11 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 117.622 -1.631 . . . . 2.75 110.046 169.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.646 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 9.2 t70 -121.53 129.26 52.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.681 -1.6 . . . . 1.57 107.924 166.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -65.53 -29.81 70.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.345 0.498 . . . . 2.93 112.345 -171.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -89.08 -42.93 11.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.872 0.368 . . . . 3.44 110.3 -176.761 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 16.3 tp -56.58 -48.19 77.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 1.46 110.934 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.6 mt -58.84 -38.25 71.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 116.04 -0.527 . . . . 0.69 111.263 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.6 mm-40 -67.01 -60.0 3.0 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.826 -0.35 . . . . 2.15 111.301 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 32.8 mm-40 -59.46 -31.74 69.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.868 0.322 . . . . 2.05 111.868 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.03 79.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.376 . . . . 0.51 110.405 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.528 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 32.9 ttm180 -76.89 -26.44 54.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.453 -0.34 . . . . 2.96 110.907 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 70.0 mmtt -54.17 -47.72 71.69 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.472 0.653 . . . . 1.88 109.395 173.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.5 mmm -71.36 -47.9 53.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.094 -0.957 . . . . 1.68 110.856 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.06 -42.65 89.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.702 0.63 . . . . 0.49 112.702 -174.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 5.4 mm-40 -57.39 -41.52 80.44 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.984 0.421 . . . . 2.41 110.411 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 1.5 mptm? -77.69 -29.01 51.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.735 -0.666 . . . . 3.63 111.118 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.74 5.3 25.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.445 -0.343 . . . . 0.66 111.755 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 61.44 33.25 18.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.969 -0.559 . . . . 2.18 110.598 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' A' ' 118' ' ' ILE . 90.5 mt -100.79 132.04 46.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.039 -0.528 . . . . 0.59 110.372 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -79.95 93.73 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.347 -0.612 . . . . 0.53 109.347 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.61 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -99.14 124.91 44.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.008 -0.542 . . . . 1.14 110.466 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 50' ' ' ILE . 4.5 mp -107.8 109.12 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.943 -0.572 . . . . 0.94 109.734 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.88 116.16 17.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.067 -0.515 . . . . 1.17 111.535 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.405 HG23 HD12 ' A' ' 28' ' ' LEU . 3.4 m -136.45 142.08 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 1.38 110.23 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.588 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -135.21 93.44 0.24 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 119.539 -1.315 . . . . 1.24 111.656 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.588 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 16.2 t70 151.63 139.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.854 1.262 . . . . 1.98 107.652 -176.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 55' ' ' GLU . 1.8 mp0 -63.67 -23.92 67.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.669 0.271 . . . . 2.21 111.062 -175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 10.1 mm-40 -84.33 -33.43 23.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.513 -0.312 . . . . 2.04 110.873 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.63 -32.12 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.833 -0.347 . . . . 2.16 110.264 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.518 HD12 HD23 ' A' ' 26' ' ' LEU . 28.4 tp -63.69 -36.16 82.92 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.946 -0.391 . . . . 0.83 109.946 176.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.504 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 34.5 mmtm -58.93 -30.46 67.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.528 0.68 . . . . 2.26 110.481 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.2 mmmt -84.97 -40.31 17.08 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.054 -0.975 . . . . 2.35 110.569 -175.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.92 85.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.873 -0.603 . . . . 0.47 110.841 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 58' ' ' LEU . 83.2 mt -57.81 -50.67 76.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.83 111.114 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.35 -31.77 71.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 2.76 110.665 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.5 tttp -64.49 -46.59 82.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 2.11 109.911 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.64 86.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.799 -0.637 . . . . 0.38 110.612 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.663 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 8.6 t70 -56.48 -54.14 49.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.591 -0.731 . . . . 1.36 110.404 176.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 6.9 m-20 -59.84 -48.27 82.35 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.971 -0.559 . . . . 1.68 111.934 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LYS . 76.5 mt -58.96 -36.6 62.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 120.901 0.382 . . . . 0.51 111.074 -176.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -66.43 -44.33 83.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.53 111.538 -178.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 29.6 mmtp -70.47 -31.44 68.57 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 116.302 -0.408 . . . . 1.5 111.549 -172.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 30.3 mtpp -52.03 -42.48 63.1 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.57 0.544 . . . . 2.71 110.418 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -124.88 -50.89 1.7 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.435 1.272 . . . . 2.22 114.435 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -114.15 17.43 17.7 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.767 1.395 . . . . 2.41 114.767 -159.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.63 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 2.8 p -59.59 12.52 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.748 1.388 . . . . 3.38 114.748 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -58.33 -31.95 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.744 -0.835 . . . . 2.75 108.744 166.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 21' ' ' MET . 27.4 tt0 -170.15 146.84 3.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.013 -0.994 . . . . 2.76 109.167 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.4 125.11 25.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.968 0.414 . . . . 0.71 110.757 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HE3' ' NH2' ' A' ' 104' ' ' ARG . 39.4 mttp -111.8 122.4 47.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.936 -0.575 . . . . 1.67 109.818 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.478 ' HB ' HG23 ' A' ' 103' ' ' VAL . 55.9 mt -124.25 128.86 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.302 -0.408 . . . . 0.49 110.124 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 tp -111.76 115.29 28.83 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.865 -0.42 . . . . 1.4 109.865 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.0 mt -102.19 99.85 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.101 -0.24 . . . . 0.38 110.649 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.641 HD23 ' HB3' ' A' ' 106' ' ' ARG . 46.5 mt -90.7 99.18 12.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.956 0.408 . . . . 1.61 110.133 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.9 OUTLIER -120.69 165.23 15.36 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 122.305 -0.247 . . . . 1.17 110.433 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.19 100.74 10.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.981 -1.118 . . . . 2.04 107.981 171.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -175.42 137.81 0.54 Allowed Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 114.896 -1.047 . . . . 2.02 109.26 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.21 119.31 6.33 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 121.776 1.651 . . . . 0.85 110.024 168.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.4 m -124.25 145.24 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.572 0.701 . . . . 1.17 112.485 -172.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.0 t -100.51 144.58 28.75 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 114.999 -1.0 . . . . 1.44 109.252 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.08 -17.26 30.72 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.473 2.782 . . . . 1.14 112.731 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 13.8 tp10 -64.68 -44.7 89.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.979 0.418 . . . . 2.43 110.211 174.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -71.2 -28.08 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 3.78 110.196 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.31 -42.9 99.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.848 -0.615 . . . . 1.46 109.667 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.07 -29.94 69.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.73 -0.668 . . . . 3.25 110.503 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 57.0 mttm -70.72 -43.74 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.373 -0.376 . . . . 2.44 110.219 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.7 mt -72.87 -34.9 67.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.048 0.451 . . . . 1.14 110.344 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -66.37 -27.06 67.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.79 -0.641 . . . . 2.2 109.551 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -80.17 -21.19 43.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.919 -0.582 . . . . 2.87 111.137 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -74.83 -42.71 57.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 3.64 110.414 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.35 132.99 56.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.927 -0.579 . . . . 0.6 109.907 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.89 101.55 5.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.969 -0.752 . . . . 1.77 108.969 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.5 -170.15 0.4 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.18 -1.373 . . . . 0.5 108.53 -175.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 4.7 pt-20 -116.35 89.08 3.03 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.776 0.798 . . . . 1.77 109.193 167.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.478 HG23 ' HB ' ' A' ' 79' ' ' ILE . 5.3 p -82.43 136.87 22.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.486 0.66 . . . . 1.05 109.802 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.498 ' NH2' ' HE3' ' A' ' 78' ' ' LYS . 97.2 mtt180 -114.79 99.78 7.75 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.454 -0.943 . . . . 2.71 108.454 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 m -72.94 136.68 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.135 -0.691 . . . . 0.71 109.135 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.641 ' HB3' HD23 ' A' ' 82' ' ' LEU . 15.1 tpp180 -138.94 127.78 23.53 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.788 0.328 . . . . 2.63 110.716 -174.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 15.1 t -90.47 126.36 35.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.193 0.52 . . . . 0.64 110.054 177.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.6 m -114.73 143.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.159 -0.473 . . . . 1.34 110.415 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -107.53 -39.66 5.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.097 -0.502 . . . . 1.22 111.768 -178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.0 m -134.4 160.55 68.06 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 119.416 -0.326 . . . . 0.93 110.624 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.451 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 81.1 Cg_exo -47.66 -46.65 20.37 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.873 2.382 . . . . 0.6 113.237 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.03 -29.59 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 2.04 111.706 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 28.5 mm-40 -63.64 -40.18 96.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.72 0.295 . . . . 2.21 110.518 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.93 81.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.856 -0.424 . . . . 0.48 109.856 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -57.29 -42.66 82.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.646 -0.706 . . . . 1.53 110.349 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 113' ' ' GLU . 54.9 ttt180 -51.13 -56.23 13.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.107 -0.951 . . . . 4.21 111.53 175.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -71.77 -34.65 69.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.99 111.492 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.412 HG23 ' CD1' ' A' ' 47' ' ' LEU . 57.3 mt -58.15 -49.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.519 -0.309 . . . . 0.57 111.427 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.3 -40.4 93.74 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.921 -0.312 . . . . 2.66 110.841 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.09 -30.16 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 2.48 111.125 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -75.74 -33.36 60.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.211 -0.45 . . . . 1.43 110.161 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 m -68.28 -43.38 77.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.687 -0.688 . . . . 1.31 110.235 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -98.0 74.12 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.046 -0.525 . . . . 2.53 110.012 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.486 ' HG3' HH12 ' A' ' 104' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.967 0 N-CA-C 108.998 -0.741 . . . . 2.76 108.998 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.476 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 1.6 pmm? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.006 -0.368 . . . . 2.17 110.006 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 m -98.57 130.49 45.12 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.256 -0.578 . . . . 0.82 110.148 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -105.3 130.07 53.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.289 -0.414 . . . . 0.39 110.25 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.741 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 61.1 m-85 -117.83 152.15 35.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.151 -0.477 . . . . 1.3 110.99 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.42 124.37 48.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 121.766 0.793 . . . . 1.08 110.196 171.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 58' ' ' LEU . 8.5 mp -105.67 152.8 22.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.659 -1.155 . . . . 1.18 109.041 175.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 5.6 tp -139.57 108.88 3.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 109.759 -0.46 . . . . 0.55 109.759 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.492 HD12 HG13 ' A' ' 52' ' ' VAL . 7.4 tp -97.21 76.44 2.63 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 119.294 -0.963 . . . . 1.24 108.606 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -149.58 141.78 24.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.813 -1.539 . . . . 1.27 108.223 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -114.09 84.75 2.09 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 117.538 -1.665 . . . . 2.75 109.928 166.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 14.3 t70 -122.1 118.79 29.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.284 -1.326 . . . . 1.57 107.996 164.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 45.6 mtmt -65.4 -24.37 67.2 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 111.808 0.299 . . . . 2.93 111.808 -174.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HD3' ' H ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.75 -39.13 20.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.46 . . . . 3.44 109.981 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 14.8 tp -64.81 -51.63 61.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 1.46 111.016 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.7 mt -51.81 -36.69 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 O-C-N 123.787 0.679 . . . . 0.69 110.743 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 15.6 mm-40 -59.46 -56.97 15.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.999 -0.546 . . . . 2.15 111.284 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 38.3 mt-10 -73.37 -30.19 63.14 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.804 -0.358 . . . . 2.05 111.34 -175.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.2 86.75 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.103 -0.703 . . . . 0.51 109.103 173.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.8 ttm-85 -71.09 -46.18 62.29 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.479 -0.782 . . . . 2.96 110.236 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 24.7 mmtp -55.6 -46.21 77.33 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.977 0.418 . . . . 1.88 110.377 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.1 tpt -66.06 -44.92 83.13 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.741 -0.663 . . . . 1.68 110.992 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.27 -27.64 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.49 111.396 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.5 tm-20 -63.59 -44.06 95.12 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.496 -0.927 . . . . 2.41 108.496 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 93.1 mttt -72.84 -24.01 60.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.728 -1.124 . . . . 3.63 111.133 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.66 -1.99 58.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.66 111.548 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.5 m120 62.31 35.35 15.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.864 -0.607 . . . . 2.18 111.495 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.413 HD12 HG23 ' A' ' 118' ' ' ILE . 69.8 mt -96.63 148.61 22.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.643 -0.708 . . . . 0.59 110.246 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' CD1' ' A' ' 24' ' ' PHE . 4.9 mm -79.66 107.58 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.342 -0.614 . . . . 0.53 109.342 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 39' ' ' ARG . 39.8 tp -90.91 129.63 36.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.867 0.365 . . . . 1.14 111.073 -178.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.42 107.95 22.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.94 109.706 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 p -81.93 126.53 32.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.671 -0.695 . . . . 1.17 110.184 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.492 HG13 HD12 ' A' ' 28' ' ' LEU . 4.1 p -153.45 141.0 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.572 -0.285 . . . . 1.38 110.692 -175.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -140.19 96.38 0.21 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.195 -1.003 . . . . 1.24 112.465 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.51 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.7 t70 152.25 141.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.435 1.494 . . . . 1.98 107.358 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -71.17 -28.73 64.46 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.829 0.347 . . . . 2.21 111.322 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.1 mm-40 -80.61 -32.59 36.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.981 -0.748 . . . . 2.04 108.981 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' CG ' ' HB3' ' A' ' 54' ' ' ASP . 19.5 mm-40 -71.55 -24.94 62.03 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.535 -0.757 . . . . 2.16 110.653 176.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.545 ' CD1' HD23 ' A' ' 26' ' ' LEU . 52.6 tp -65.55 -34.63 78.71 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.427 -0.582 . . . . 0.83 109.427 174.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 59.6 mttm -60.36 -27.26 67.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.581 0.705 . . . . 2.26 110.273 174.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -88.7 -38.0 15.09 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.049 -0.978 . . . . 2.35 110.712 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.67 91.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.391 . . . . 0.47 110.835 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.28 -46.79 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.03 -0.532 . . . . 0.83 110.581 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -66.76 -34.98 79.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.397 . . . . 2.76 110.599 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' HG13 ' A' ' 68' ' ' ILE . 87.0 tttt -57.49 -44.09 84.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 2.11 110.353 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.77 -41.5 71.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.619 . . . . 0.38 110.971 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -52.84 -46.97 68.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.807 -0.633 . . . . 1.36 111.068 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.31 -40.84 90.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 1.68 111.616 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 64' ' ' LYS . 82.3 mt -61.82 -43.23 97.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.081 0.467 . . . . 0.51 110.456 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.741 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -73.84 -57.51 3.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.53 112.095 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.673 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 21.3 ttmm -69.02 -29.03 67.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.393 -0.822 . . . . 1.5 112.629 -163.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -64.58 -31.8 73.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 2.71 110.903 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -122.35 -50.54 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.709 1.003 . . . . 2.22 113.709 -172.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -111.03 17.66 20.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.85 0.357 . . . . 2.41 111.821 -166.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.673 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 96.9 p -52.39 -3.89 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.191 1.552 . . . . 3.38 115.191 -172.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -51.48 -36.81 46.01 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.371 -0.603 . . . . 2.75 109.371 173.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HB3' ' HB3' ' A' ' 21' ' ' MET . 28.9 tt0 -159.46 130.19 5.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.633 -0.712 . . . . 2.76 109.687 170.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.05 123.04 39.48 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.195 -0.457 . . . . 0.71 109.953 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -126.54 133.66 51.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.842 0.353 . . . . 1.67 110.227 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 58.1 mt -125.23 131.33 72.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.054 -0.521 . . . . 0.49 110.166 -177.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.74 108.55 20.08 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.179 -0.674 . . . . 1.4 109.179 176.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.613 HG22 HD22 ' A' ' 83' ' ' LEU . 76.2 mt -94.72 108.15 20.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.176 -0.61 . . . . 0.38 110.036 175.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 88.7 mt -91.87 120.05 32.2 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.254 -0.647 . . . . 1.61 109.254 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.613 HD22 HG22 ' A' ' 81' ' ' ILE . 1.2 pt? -140.81 155.33 46.4 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.669 -0.241 . . . . 1.17 110.456 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -107.08 99.4 8.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.884 0.85 . . . . 2.04 110.241 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -174.81 163.97 2.41 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 114.067 -1.424 . . . . 2.02 108.199 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.65 119.6 6.64 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 121.796 1.664 . . . . 0.85 111.172 170.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.0 m -124.52 130.38 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.278 0.561 . . . . 1.17 111.396 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.3 p -100.18 167.96 10.16 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 1.44 109.767 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.04 -31.01 88.86 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 121.749 1.633 . . . . 1.14 111.443 172.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.77 -33.09 68.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.075 -0.511 . . . . 2.43 110.589 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -65.72 -45.63 81.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.472 -0.566 . . . . 3.78 109.472 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.84 -43.02 99.68 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.845 -0.616 . . . . 1.46 110.324 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -58.03 -35.26 71.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.02 -0.536 . . . . 3.25 110.88 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -65.17 -36.76 85.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.25 -0.432 . . . . 2.44 110.944 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.441 HD12 HG11 ' A' ' 105' ' ' VAL . 87.2 mt -86.5 -35.23 19.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.201 0.524 . . . . 1.14 110.603 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.58 ' HA ' ' CG1' ' A' ' 103' ' ' VAL . 64.7 tt0 -69.41 -27.66 65.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.582 -0.735 . . . . 2.2 110.661 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -81.32 -27.17 35.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.49 -0.323 . . . . 2.87 110.925 172.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.92 -45.88 90.4 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.88 0.371 . . . . 3.64 111.195 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.51 154.05 26.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.212 -0.449 . . . . 0.6 110.55 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -92.15 99.01 11.89 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.81 -0.811 . . . . 1.77 108.81 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.96 -175.42 0.59 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.091 -1.413 . . . . 0.5 107.509 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -109.4 87.66 2.55 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.332 -0.988 . . . . 1.77 108.332 167.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.58 ' CG1' ' HA ' ' A' ' 96' ' ' GLN . 3.3 p -98.59 122.04 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 115.409 -0.814 . . . . 1.05 110.503 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -113.01 131.16 55.88 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.068 -0.969 . . . . 2.71 108.962 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.544 HG12 ' HB ' ' A' ' 81' ' ' ILE . 3.4 m -113.78 129.84 68.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.251 0.548 . . . . 0.71 110.216 -173.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' HD23 ' A' ' 82' ' ' LEU . 2.4 mmp_? -121.09 137.02 54.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.019 -0.537 . . . . 2.63 110.317 -176.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 5.3 t -87.56 115.81 25.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.382 0.611 . . . . 0.64 110.366 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.5 m -118.33 122.29 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.969 -0.56 . . . . 1.34 111.026 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.2 p -105.47 1.67 27.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.183 -0.462 . . . . 1.22 111.786 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 m -153.53 157.16 32.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 O-C-N 122.4 -0.188 . . . . 0.93 110.934 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.534 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 82.4 Cg_exo -50.31 -52.97 7.89 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.093 2.529 . . . . 0.6 113.452 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 4.5 m-20 -62.33 -29.0 70.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 2.04 111.651 -175.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.78 -47.38 86.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.158 0.504 . . . . 2.21 109.824 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -64.77 -47.61 77.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.48 110.77 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 26.3 mtpp -56.55 -36.76 69.64 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.777 -0.647 . . . . 1.53 110.811 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.4 -58.03 9.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.683 -0.689 . . . . 4.21 111.166 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -66.13 -31.52 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 0.99 111.843 -173.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.3 mt -59.42 -45.49 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.922 0.391 . . . . 0.57 110.52 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -73.1 -28.01 62.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 2.66 111.142 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -71.71 -44.93 63.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.945 0.402 . . . . 2.48 110.383 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -63.92 -28.82 70.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.837 -0.619 . . . . 1.43 110.96 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.8 m -64.4 -30.05 71.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.054 0.455 . . . . 1.31 110.656 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -91.57 7.4 41.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.008 -0.542 . . . . 2.53 111.363 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.397 -0.811 . . . . 2.76 110.025 177.814 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.476 ' SD ' ' HG3' ' A' ' 78' ' ' LYS . 40.3 ttm . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.833 -0.432 . . . . 2.17 109.833 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 m -104.32 132.48 50.52 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.013 -0.365 . . . . 0.82 110.013 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -99.75 123.75 44.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.09 0.471 . . . . 0.39 110.82 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 57.9 m-85 -111.39 141.46 44.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.73 -0.668 . . . . 1.3 109.95 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.9 t -121.22 106.81 19.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.166 0.508 . . . . 1.08 110.348 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' HB2' HG12 ' A' ' 81' ' ' ILE . 7.9 mp -95.32 141.43 28.9 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.651 -0.87 . . . . 1.18 108.651 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.681 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 12.2 tt -148.38 128.09 4.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.104 -0.638 . . . . 0.55 112.574 -174.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD11 HD13 ' A' ' 58' ' ' LEU . 6.2 mp -115.94 80.95 1.52 Allowed 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.251 -0.648 . . . . 1.24 109.251 171.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -149.17 88.69 1.6 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.634 -0.876 . . . . 1.27 108.634 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -86.23 85.68 7.34 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.028 -1.469 . . . . 2.75 110.711 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.597 ' OD2' ' HG3' ' A' ' 33' ' ' LYS . 23.8 t70 -121.11 137.05 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.106 -1.406 . . . . 1.57 107.745 163.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -55.66 28.37 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 119.067 0.849 . . . . 2.93 111.536 -171.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HG3' ' OD2' ' A' ' 31' ' ' ASP . 13.3 pttp -64.77 -36.19 83.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 3.44 111.593 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 3.0 tm? -56.24 -53.95 51.14 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.724 0.297 . . . . 1.46 110.338 175.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.55 -36.79 75.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.69 110.705 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 6.5 mm-40 -59.24 -61.47 2.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 2.15 110.889 175.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.538 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 54.0 mm-40 -58.32 -41.86 85.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.356 -0.383 . . . . 2.05 111.996 -177.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.91 93.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.51 111.111 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -69.51 -38.99 77.84 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 120.862 -0.335 . . . . 2.96 110.894 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 65.5 mttm -56.13 -31.32 63.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 1.88 110.847 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.2 tpp -75.7 -56.18 4.94 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.218 -0.446 . . . . 1.68 111.216 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.23 71.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.307 0.484 . . . . 0.49 112.307 -174.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.32 -51.08 71.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.305 0.574 . . . . 2.41 109.459 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -66.1 -30.9 71.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.039 -0.982 . . . . 3.63 110.715 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.56 -3.76 39.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.66 111.493 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.2 t30 67.35 43.23 2.03 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.581 -0.736 . . . . 2.18 110.491 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -107.2 155.97 19.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.539 -0.755 . . . . 0.59 109.214 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mt -94.77 96.1 5.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.151 0.5 . . . . 0.53 109.852 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tt -89.87 133.01 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.838 -0.619 . . . . 1.14 109.912 -178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.3 mm -118.76 102.21 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.053 -0.521 . . . . 0.94 110.24 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.81 120.38 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 1.17 110.463 175.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.528 HG11 ' HB2' ' A' ' 61' ' ' ALA . 4.5 m -127.48 -178.12 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.104 0.478 . . . . 1.38 111.454 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -135.98 99.06 0.3 Allowed Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.54 -0.755 . . . . 1.24 112.415 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 6.4 m-20 87.04 162.56 0.08 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.0 0.92 . . . . 1.98 111.343 170.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 2.4 mp0 -47.93 -41.94 26.04 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.352 0.407 . . . . 2.21 111.359 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.79 -50.27 72.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.526 -0.761 . . . . 2.04 111.106 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 31.5 mm-40 -70.22 -28.74 65.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.557 -0.292 . . . . 2.16 111.021 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.462 HD13 HD11 ' A' ' 28' ' ' LEU . 60.5 tp -63.88 -41.07 97.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.326 -0.397 . . . . 0.83 110.033 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 67.6 mttm -56.2 -32.2 64.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.311 0.577 . . . . 2.26 111.149 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 6.8 mmpt? -84.32 -31.32 24.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.346 -0.843 . . . . 2.35 110.421 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.528 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -71.65 -37.1 70.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 0.47 110.087 175.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 58' ' ' LEU . 95.6 mt -59.51 -51.4 73.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.595 -0.729 . . . . 0.83 110.611 177.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -71.25 -29.06 64.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.47 -0.332 . . . . 2.76 110.571 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' HG13 ' A' ' 68' ' ' ILE . 85.3 tttt -65.38 -48.25 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 2.11 110.171 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.79 99.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.38 110.237 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.87 -34.79 68.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.372 -0.831 . . . . 1.36 110.861 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 38.7 t70 -83.68 -42.67 16.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.788 -0.642 . . . . 1.68 111.755 -175.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 64' ' ' LYS . 77.4 mt -67.43 -40.4 84.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.167 0.508 . . . . 0.51 110.684 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.517 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -65.95 -60.31 2.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.685 -0.689 . . . . 0.53 111.262 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 23.1 ttmt -64.61 -23.96 67.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.806 -1.088 . . . . 1.5 111.509 -174.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 87.6 tttt -42.77 -50.2 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.182 0.927 . . . . 2.71 111.22 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.83 -60.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.508 1.299 . . . . 2.22 114.508 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -118.71 -41.04 2.82 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.228 0.825 . . . . 2.41 113.228 -171.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.436 ' HB3' ' CA ' ' A' ' 69' ' ' ALA . 14.5 t -83.73 24.47 0.87 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.106 -0.952 . . . . 3.38 113.272 -162.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.9 m -45.98 -24.6 0.44 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.051 0.389 . . . . 2.75 112.051 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -112.24 98.92 7.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.749 -1.204 . . . . 2.76 107.749 165.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.61 168.69 9.45 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.821 -0.627 . . . . 0.71 110.981 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.476 ' HG3' ' SD ' ' A' ' 21' ' ' MET . 44.0 mttm -129.89 126.19 37.36 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.374 -0.973 . . . . 1.67 108.374 172.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.56 ' HB ' HG23 ' A' ' 103' ' ' VAL . 62.0 mt -121.67 143.31 34.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.977 -0.556 . . . . 0.49 109.969 -172.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -112.18 124.34 52.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.04 -0.726 . . . . 1.4 109.04 176.23 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.49 HG12 ' HB2' ' A' ' 26' ' ' LEU . 80.3 mt -109.2 103.9 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.996 -0.372 . . . . 0.38 109.996 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.681 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 90.3 mt -99.33 140.51 33.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 1.61 109.953 176.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -163.44 156.05 18.27 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.67 -0.241 . . . . 1.17 110.722 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -99.41 99.17 10.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.493 -1.669 . . . . 2.04 106.493 171.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.449 ' HB3' HD13 ' A' ' 83' ' ' LEU . 24.5 ttmm -176.75 143.73 0.59 Allowed Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.234 -0.894 . . . . 2.02 109.527 -172.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.36 118.21 5.27 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.388 1.392 . . . . 0.85 110.621 170.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -130.93 143.8 39.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.174 0.512 . . . . 1.17 111.053 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -87.63 137.19 32.19 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.51 -0.768 . . . . 1.44 110.12 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.46 -20.68 41.88 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.921 2.414 . . . . 1.14 111.863 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.97 -42.27 66.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.297 -0.631 . . . . 2.43 109.297 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -66.92 -30.91 71.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.363 -0.835 . . . . 3.78 110.01 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.77 -40.86 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.768 -0.651 . . . . 1.46 110.82 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -81.78 -11.92 58.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.295 -0.412 . . . . 3.25 110.782 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.18 -46.91 39.18 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.294 -1.002 . . . . 2.44 108.294 171.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 98' ' ' TYR . 9.2 mp -66.27 -38.51 87.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.0 -1.0 . . . . 1.14 110.581 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -67.7 -23.13 65.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 2.2 109.992 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -80.22 -38.48 31.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 2.87 111.394 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 20.4 m-85 -61.27 -50.05 74.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.807 0.337 . . . . 3.64 111.226 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.54 149.43 22.21 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.482 -0.562 . . . . 0.6 109.482 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -87.25 99.53 12.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.156 -1.053 . . . . 1.77 108.156 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.32 178.24 1.39 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.462 -1.245 . . . . 0.5 109.085 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -111.74 89.37 3.04 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.054 -0.721 . . . . 1.77 109.054 169.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.56 HG23 ' HB ' ' A' ' 79' ' ' ILE . 6.4 p -86.67 138.39 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 121.527 0.68 . . . . 1.05 110.386 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.434 ' O ' HD23 ' A' ' 80' ' ' LEU . 67.4 ttt180 -111.58 101.24 9.66 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.023 -0.989 . . . . 2.71 108.531 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.51 111.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 110.131 -0.322 . . . . 0.71 110.131 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.415 ' HB2' HD23 ' A' ' 82' ' ' LEU . 17.6 mmm180 -123.04 133.57 54.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.07 0.462 . . . . 2.63 111.06 -174.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.9 t -87.45 138.95 31.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.062 -0.517 . . . . 0.64 109.898 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.56 150.06 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.939 0.399 . . . . 1.34 110.559 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.1 p -117.52 -27.04 6.44 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.843 -0.617 . . . . 1.22 111.584 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.2 m -139.69 152.47 68.51 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 122.207 -0.308 . . . . 0.93 111.284 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.455 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 51.3 Cg_exo -53.1 -47.76 25.8 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.651 2.234 . . . . 0.6 113.495 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.59 -39.78 74.12 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.063 0.459 . . . . 2.04 111.012 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -63.24 -42.99 99.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.386 -0.825 . . . . 2.21 110.328 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.07 95.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.524 . . . . 0.48 110.521 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.538 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 54.6 mtpt -60.3 -37.14 79.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.918 -0.583 . . . . 1.53 110.281 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.97 -44.43 96.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.292 -0.867 . . . . 4.21 111.152 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -65.44 -43.97 88.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.99 110.594 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.02 -44.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.995 0.426 . . . . 0.57 110.43 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.578 ' O ' ' HG3' ' A' ' 123' ' ' GLU . 62.1 tttp -57.22 -51.05 70.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.616 -0.72 . . . . 2.66 110.728 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.0 -41.78 97.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 2.48 110.728 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -67.59 -30.82 70.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.758 -0.656 . . . . 1.43 111.026 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.7 t -75.67 -34.31 60.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.148 -0.478 . . . . 1.31 110.651 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 119' ' ' LYS . 44.7 mt-10 -74.95 -47.38 29.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.485 -0.325 . . . . 2.53 111.245 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 119.138 -0.458 . . . . 2.76 111.123 -176.31 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.782 0.325 . . . . 2.17 110.44 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.3 m -96.54 147.45 23.85 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.765 -0.458 . . . . 0.82 109.765 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 78' ' ' LYS . 53.8 mt -113.46 120.58 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.05 0.452 . . . . 0.39 110.782 -177.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 68.8 m-85 -111.15 149.31 31.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.995 -0.548 . . . . 1.3 110.153 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 49' ' ' LEU . 2.5 p -142.02 122.4 11.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.509 0.671 . . . . 1.08 111.242 177.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.7 mm? -103.24 162.85 12.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.072 -0.967 . . . . 1.18 108.669 176.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.647 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.6 tt -150.23 118.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.233 0.457 . . . . 0.55 112.233 -175.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 83' ' ' LEU . 6.0 mp -107.56 79.81 1.33 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.504 0.669 . . . . 1.24 109.863 170.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -149.57 144.81 26.46 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.085 -1.08 . . . . 1.27 108.085 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -122.01 86.53 2.59 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.389 -1.324 . . . . 2.75 110.43 166.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.654 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.1 t70 -119.9 145.16 46.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.282 -1.327 . . . . 1.57 108.506 167.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -75.38 -32.23 60.72 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 111.791 0.293 . . . . 2.93 111.791 -173.856 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -82.62 -46.83 12.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.673 0.273 . . . . 3.44 110.675 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.763 HD13 ' HA ' ' A' ' 111' ' ' PRO . 38.6 tp -54.57 -51.28 65.76 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.885 -0.598 . . . . 1.46 111.22 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.2 mt -58.42 -39.66 75.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.714 0.292 . . . . 0.69 111.292 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 15.2 mm-40 -69.64 -56.31 7.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.544 -0.298 . . . . 2.15 111.313 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.85 -33.03 74.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.585 -0.279 . . . . 2.05 111.439 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.91 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.651 -0.25 . . . . 0.51 110.69 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -72.65 -34.42 67.24 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 120.222 -0.591 . . . . 2.96 110.785 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.642 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 68.9 mttm -61.41 -37.99 85.47 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.557 -0.457 . . . . 1.88 110.329 177.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.5 tpt -74.76 -47.38 31.3 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.309 -0.405 . . . . 1.68 110.335 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -69.93 -31.19 68.82 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.367 0.506 . . . . 0.49 112.367 -175.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -65.9 -47.42 74.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.464 -0.569 . . . . 2.41 109.464 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 4.2 mptp? -73.6 -11.65 60.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.545 . . . . 3.63 110.377 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' ' 122' ' ' SER . . . -97.45 1.17 48.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.914 -0.585 . . . . 0.66 110.423 176.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 56.75 43.38 25.31 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.072 -0.967 . . . . 2.18 111.889 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.448 HD12 HG23 ' A' ' 118' ' ' ILE . 54.5 mt -104.5 141.7 35.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.925 -0.58 . . . . 0.59 109.943 178.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mt -82.01 96.81 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.856 -0.424 . . . . 0.53 109.856 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HA ' HG13 ' A' ' 25' ' ' VAL . 19.0 tp -92.89 111.98 23.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 1.14 111.336 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.484 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 5.2 mp -104.79 115.78 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.131 -0.486 . . . . 0.94 109.711 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.9 p -75.4 122.65 24.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.273 -0.421 . . . . 1.17 110.167 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 p -150.35 115.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.889 0.376 . . . . 1.38 110.855 -174.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -116.75 95.79 0.69 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 119.562 -1.304 . . . . 1.24 113.007 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 31.4 t70 161.71 146.01 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.707 1.203 . . . . 1.98 108.919 173.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -64.44 -47.36 79.35 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.945 0.339 . . . . 2.21 111.086 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 28.9 mm-40 -67.69 -37.82 82.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.153 -0.476 . . . . 2.04 110.01 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 68.7 mm-40 -65.26 -32.87 74.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.268 -0.424 . . . . 2.16 110.826 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 62' ' ' ILE . 58.1 tp -60.7 -44.23 96.81 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.686 -0.487 . . . . 0.83 109.686 175.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -56.49 -24.39 45.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.342 0.592 . . . . 2.26 111.002 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 45.0 mmtt -90.31 -33.82 15.96 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.294 -0.866 . . . . 2.35 110.024 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.88 60.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.705 . . . . 0.47 111.246 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -65.83 -34.37 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 120.304 -0.558 . . . . 0.83 109.902 177.048 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -65.34 -38.02 88.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 2.76 110.402 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -65.81 -41.29 92.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.92 -0.582 . . . . 2.11 110.198 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.32 97.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 0.38 110.193 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -56.69 -41.37 77.24 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.469 -0.787 . . . . 1.36 111.088 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.39 -50.54 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.616 -0.72 . . . . 1.68 111.116 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.2 mt -68.42 -35.51 70.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.286 -0.416 . . . . 0.51 110.93 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 74' ' ' SER . . . -66.57 -66.35 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.321 -0.4 . . . . 0.53 111.689 -178.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.605 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 68.2 mttm -66.55 -10.92 50.07 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 112.241 0.46 . . . . 1.5 112.241 -174.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -39.95 -54.49 2.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.025 0.828 . . . . 2.71 111.387 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' HG3' ' H ' ' A' ' 73' ' ' ASN . 21.3 pt20 -129.5 -61.4 1.02 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.341 1.237 . . . . 2.22 114.341 -173.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.408 ' H ' ' HG3' ' A' ' 72' ' ' GLN . 30.0 p-10 -118.67 -35.6 3.68 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.612 0.597 . . . . 2.41 112.612 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.492 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 46.1 m -76.05 23.31 0.14 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 3.38 112.95 -166.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.605 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 17.6 m -46.42 -27.96 1.23 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.774 0.43 . . . . 2.75 111.762 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -118.2 98.66 6.41 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.594 -0.891 . . . . 2.76 108.594 169.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . -115.89 171.95 7.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.057 -0.519 . . . . 0.71 110.777 -176.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' OE1' ' A' ' 124' ' ' GLU . 0.1 OUTLIER -108.33 131.8 54.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.773 -0.825 . . . . 1.67 108.773 171.476 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mm -120.27 113.76 41.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.03 -0.359 . . . . 0.49 110.03 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 104' ' ' ARG . 26.7 tp -94.28 126.35 39.48 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.718 -0.475 . . . . 1.4 109.718 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.414 HD12 HG12 ' A' ' 105' ' ' VAL . 66.6 mt -112.44 99.73 9.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.492 -0.558 . . . . 0.38 109.492 174.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -92.63 110.49 21.92 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.41 -0.814 . . . . 1.61 109.463 -175.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.1 pp -145.37 177.87 8.51 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.78 0.324 . . . . 1.17 111.376 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.9 102.49 9.12 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.16 -1.052 . . . . 2.04 108.16 168.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.406 ' HB3' HD13 ' A' ' 83' ' ' LEU . 40.8 ttmt -173.73 130.46 0.53 Allowed Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 114.979 -1.009 . . . . 2.02 108.998 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.68 118.81 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 121.952 1.768 . . . . 0.85 110.787 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.3 m -117.19 126.37 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.386 0.612 . . . . 1.17 111.663 -175.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.9 m -99.38 148.39 34.62 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.595 -0.73 . . . . 1.44 110.041 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -44.09 -46.01 11.49 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.045 2.496 . . . . 1.14 113.217 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.21 -41.91 89.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 2.43 111.188 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -67.73 -39.46 84.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.481 -0.327 . . . . 3.78 110.381 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.82 -35.55 80.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.294 0.568 . . . . 1.46 110.016 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -67.95 -34.02 75.77 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.515 -0.766 . . . . 3.25 110.097 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.24 -32.71 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 2.44 110.141 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.497 HD12 HG11 ' A' ' 105' ' ' VAL . 91.9 mt -73.5 -38.23 65.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.51 . . . . 1.14 110.079 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.454 ' HG2' ' H ' ' A' ' 103' ' ' VAL . 90.3 mt-30 -68.32 -20.11 64.72 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.335 0.588 . . . . 2.2 109.826 172.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -79.44 -37.78 36.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.535 -0.757 . . . . 2.87 111.166 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.71 -48.59 76.46 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.912 0.387 . . . . 3.64 110.493 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.01 119.79 36.39 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.654 -0.498 . . . . 0.6 109.654 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -76.42 102.3 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.942 0.877 . . . . 1.77 110.083 -175.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -174.88 -171.98 0.58 Allowed 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.522 -1.672 . . . . 0.5 106.925 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -99.34 92.1 5.26 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.409 -0.916 . . . . 1.77 109.19 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.454 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 15.6 t -82.14 118.03 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 114.868 -1.06 . . . . 1.05 110.236 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 80' ' ' LEU . 77.6 mtp180 -101.38 101.7 12.39 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.625 -0.716 . . . . 2.71 109.083 174.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.497 HG11 HD12 ' A' ' 95' ' ' LEU . 4.0 m -91.62 140.04 16.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 109.413 -0.588 . . . . 0.71 109.413 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -133.77 132.04 40.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.609 0.242 . . . . 2.63 111.495 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 6.4 t -100.61 122.56 43.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.986 -0.552 . . . . 0.64 109.782 174.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.16 145.29 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.247 0.546 . . . . 1.34 111.015 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.2 p -93.63 -29.93 15.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.624 -0.716 . . . . 1.22 111.387 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.5 m -149.35 160.42 34.6 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 116.366 -0.379 . . . . 0.93 110.572 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.763 ' HA ' HD13 ' A' ' 34' ' ' LEU . 95.6 Cg_exo -43.07 -44.02 9.62 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.397 2.731 . . . . 0.6 113.18 177.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 13.0 t70 -51.11 -42.45 60.68 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.29 -0.868 . . . . 2.04 112.418 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.71 -49.19 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 2.21 110.972 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.91 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.48 111.332 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 30.2 mtpp -52.38 -41.29 62.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.776 -0.647 . . . . 1.53 110.879 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -82.16 -32.12 30.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.475 . . . . 4.21 111.977 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -70.78 -39.5 73.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.663 0.268 . . . . 0.99 111.236 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.448 HG23 HD12 ' A' ' 47' ' ' LEU . 91.7 mt -61.45 -36.37 72.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.153 -0.476 . . . . 0.57 110.176 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -60.99 -51.37 69.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 2.66 110.973 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.6 -38.55 91.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 2.48 111.326 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -67.71 -44.57 77.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 1.43 111.311 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.435 ' CB ' ' HB1' ' A' ' 45' ' ' ALA . 11.5 p -69.48 -38.54 77.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.58 -0.282 . . . . 1.31 111.336 -177.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -87.54 21.56 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 2.53 111.012 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.499 ' OE1' ' HG2' ' A' ' 78' ' ' LYS . 28.5 tt0 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.647 -0.692 . . . . 2.76 109.727 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.757 0.313 . . . . 2.17 110.826 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.8 m -82.0 138.0 35.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.337 -0.616 . . . . 0.82 109.337 172.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HB2' HD22 ' A' ' 47' ' ' LEU . 85.5 mt -102.84 113.27 26.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.164 0.507 . . . . 0.39 110.462 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CE1' HD12 ' A' ' 48' ' ' ILE . 57.0 m-85 -101.11 151.21 22.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.701 -0.681 . . . . 1.3 109.607 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.1 p -140.85 117.18 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.907 0.86 . . . . 1.08 110.984 176.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 58' ' ' LEU . 7.5 mp -103.89 155.77 18.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.755 -1.112 . . . . 1.18 108.598 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 6.1 tt -146.93 109.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 C-N-CA 120.601 -0.44 . . . . 0.55 111.753 -175.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD13 HD13 ' A' ' 58' ' ' LEU . 2.8 mp -96.31 82.47 3.42 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.625 0.726 . . . . 1.24 109.43 174.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.9 t -147.67 143.8 27.91 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.592 -1.185 . . . . 1.27 108.976 175.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -118.3 84.24 2.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.494 1.14 . . . . 2.75 109.272 164.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.2 t70 -122.15 163.18 19.98 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.072 -1.422 . . . . 1.57 108.011 169.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 46.9 mmtm -90.25 -34.06 15.91 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 118.643 0.656 . . . . 2.93 110.847 174.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -90.19 -43.05 10.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.672 -0.24 . . . . 3.44 111.092 -176.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.564 ' HG ' ' HA ' ' A' ' 111' ' ' PRO . 6.1 tt -56.56 -43.7 80.21 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.327 -0.397 . . . . 1.46 110.219 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.3 mt -60.32 -48.56 87.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.69 111.042 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 21.5 mm-40 -65.87 -45.5 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 2.15 111.703 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -58.49 -37.9 76.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.958 0.409 . . . . 2.05 110.679 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.25 -49.53 71.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.51 110.516 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -66.44 -37.45 85.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.365 -0.379 . . . . 2.96 111.611 -177.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 98.4 mttt -49.49 -47.77 48.37 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.987 0.422 . . . . 1.88 110.774 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 mmt -76.42 -52.23 10.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.946 -0.57 . . . . 1.68 111.045 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -64.89 -39.52 93.65 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.493 0.553 . . . . 0.49 112.493 -172.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.05 -39.26 89.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.254 0.55 . . . . 2.41 109.811 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 44' ' ' LYS . 3.9 tmmm? -70.64 -33.22 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.634 -0.712 . . . . 3.63 109.251 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.54 14.72 4.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.671 -0.695 . . . . 0.66 111.048 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.7 p30 46.24 31.25 1.17 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.246 1.019 . . . . 2.18 112.624 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 23' ' ' LEU . 42.0 mt -79.7 155.07 28.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.415 -0.587 . . . . 0.59 109.415 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.504 HD12 ' CE1' ' A' ' 24' ' ' PHE . 42.0 mt -91.27 92.31 3.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.252 0.549 . . . . 0.53 109.624 176.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 50.6 tp -84.68 117.06 23.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.184 -0.917 . . . . 1.14 110.416 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.9 mt -110.82 101.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.204 0.526 . . . . 0.94 109.693 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.5 p -80.01 100.81 8.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.71 -0.677 . . . . 1.17 111.431 -177.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 13.4 m -126.11 139.04 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.693 -0.685 . . . . 1.38 109.764 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.587 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -125.01 94.15 0.45 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 119.281 -1.437 . . . . 1.24 111.867 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 13.3 t70 158.8 148.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.734 -1.21 . . . . 1.98 107.734 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -71.99 -25.11 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.79 0.328 . . . . 2.21 110.775 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 10.5 mm-40 -82.16 -37.23 26.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.262 -0.426 . . . . 2.04 109.888 177.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -70.19 -25.85 63.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 2.16 110.655 177.056 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD12 HD23 ' A' ' 26' ' ' LEU . 63.0 tp -58.75 -43.13 90.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.272 -0.64 . . . . 0.83 109.272 171.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.29 -22.67 66.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.699 -0.682 . . . . 2.26 111.787 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 26.4 mmtp -84.23 -41.3 17.08 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.819 -0.628 . . . . 2.35 109.975 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.67 83.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.671 -0.695 . . . . 0.47 109.934 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.89 -46.1 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 0.83 111.107 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -61.74 -46.32 90.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.35 . . . . 2.76 111.318 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 68' ' ' ILE . 18.4 ptpt -72.28 -27.24 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.814 -0.355 . . . . 2.11 110.921 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.07 -45.42 85.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 0.38 110.068 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.448 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 4.7 t70 -61.68 -38.18 86.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 1.36 110.382 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.83 -50.86 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.538 -0.755 . . . . 1.68 111.195 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 64' ' ' LYS . 83.6 mt -64.52 -34.07 67.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-O 121.071 0.462 . . . . 0.51 110.632 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 74' ' ' SER . . . -63.93 -59.99 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.012 -0.54 . . . . 0.53 111.265 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 100' ' ' ASP . 84.1 mttt -66.39 -12.48 57.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.676 0.621 . . . . 1.5 112.676 -175.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -44.55 -48.57 10.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.978 0.799 . . . . 2.71 110.753 -175.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.497 ' HG3' ' H ' ' A' ' 73' ' ' ASN . 20.4 pt20 -128.86 -62.39 1.01 Allowed 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.846 1.054 . . . . 2.22 113.846 -177.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.497 ' H ' ' HG3' ' A' ' 72' ' ' GLN . 7.9 t30 -119.97 -40.02 2.77 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.567 0.58 . . . . 2.41 112.567 -176.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 15.9 m -70.96 21.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.946 1.461 . . . . 3.38 114.946 -162.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 p -47.9 -29.05 3.0 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 117.94 0.337 . . . . 2.75 111.154 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -111.47 98.59 7.57 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.336 -0.986 . . . . 2.76 108.336 167.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.99 -178.96 4.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.358 -0.383 . . . . 0.71 111.173 -174.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' HB2' ' A' ' 102' ' ' GLU . 59.4 mttp -127.99 134.55 49.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.007 -0.542 . . . . 1.67 109.84 177.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.503 ' HB ' HG23 ' A' ' 103' ' ' VAL . 59.2 mt -127.75 135.94 61.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.123 -0.489 . . . . 0.49 110.145 -177.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.36 123.56 48.54 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.93 -0.767 . . . . 1.4 108.93 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.603 HG22 HD22 ' A' ' 83' ' ' LEU . 86.7 mt -110.39 107.62 23.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.553 -0.536 . . . . 0.38 109.553 173.403 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 106' ' ' ARG . 94.5 mt -92.35 99.74 12.44 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.562 -0.533 . . . . 1.61 109.562 175.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.625 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.7 pt? -124.43 137.86 54.41 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.581 -0.282 . . . . 1.17 110.778 -176.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 47.5 mt-10 -89.09 99.41 12.4 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 119.293 -0.963 . . . . 2.04 109.605 173.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -174.32 157.7 2.52 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 114.896 -1.047 . . . . 2.02 108.351 168.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.85 119.14 6.13 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 121.935 1.756 . . . . 0.85 110.878 172.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.11 140.65 42.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.227 0.537 . . . . 1.17 111.954 -176.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -101.07 148.86 35.69 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.42 -0.809 . . . . 1.44 109.284 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -48.96 -36.14 33.8 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.86 2.373 . . . . 1.14 113.007 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.35 -34.47 72.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.284 -0.416 . . . . 2.43 110.854 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -74.63 -31.86 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.651 -0.249 . . . . 3.78 111.18 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.73 -45.25 94.98 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.42 -0.585 . . . . 1.46 109.42 173.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.57 -27.82 69.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 3.25 110.793 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -76.47 -36.56 57.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.55 -0.295 . . . . 2.44 110.568 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.1 mt -77.16 -35.7 55.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.544 0.687 . . . . 1.14 109.534 174.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -67.93 -19.32 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.68 -1.145 . . . . 2.2 109.326 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -81.15 -40.25 24.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.018 -0.992 . . . . 2.87 111.506 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -62.98 -47.16 84.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.823 0.344 . . . . 3.64 111.271 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -104.45 147.85 27.11 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.507 -0.553 . . . . 0.6 109.507 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.422 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 15.2 m-20 -90.47 99.1 12.19 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.416 -0.957 . . . . 1.77 108.416 175.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.74 176.07 2.32 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 113.866 -1.515 . . . . 0.5 108.44 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 18.0 mt-10 -99.94 89.22 3.99 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.796 -0.816 . . . . 1.77 108.796 173.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.6 p -86.66 138.61 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 121.291 0.567 . . . . 1.05 109.965 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -117.91 100.52 7.62 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.278 -0.874 . . . . 2.71 108.649 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -78.47 129.19 37.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.285 -0.566 . . . . 0.71 109.778 -176.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.457 ' HB2' HD23 ' A' ' 82' ' ' LEU . 5.6 mmp_? -130.34 137.2 49.8 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.19 -0.319 . . . . 2.63 110.291 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.625 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 13.9 t -102.9 138.2 40.1 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.547 -0.538 . . . . 0.64 109.547 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 27.6 m -130.18 166.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.375 -0.375 . . . . 1.34 110.707 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.7 p -138.01 -7.46 1.61 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.32 -0.4 . . . . 1.22 111.576 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -151.91 144.58 16.92 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 111.936 0.347 . . . . 0.93 111.936 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.564 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 50.9 Cg_exo -37.06 -51.83 1.42 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 124.506 3.471 . . . . 0.6 114.886 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.488 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 2.5 m-20 -58.81 -32.09 69.05 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.172 0.434 . . . . 2.04 112.172 -175.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.75 -40.61 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.733 0.302 . . . . 2.21 110.508 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -59.8 -50.99 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.012 -0.54 . . . . 0.48 110.875 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 47.2 pttt -69.25 -27.88 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 1.53 111.062 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -62.01 -48.21 81.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.394 . . . . 4.21 110.584 174.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -67.26 -33.54 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.99 111.692 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.3 mt -61.49 -41.88 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.917 0.389 . . . . 0.57 110.436 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.75 -41.7 87.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 2.66 110.713 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.8 -23.09 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.773 -0.649 . . . . 2.48 111.044 -178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -90.96 -49.16 6.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.315 -0.402 . . . . 1.43 111.891 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 p -60.64 -65.68 0.65 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.071 0.397 . . . . 1.31 112.071 -172.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -84.73 -34.54 22.86 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.572 -0.451 . . . . 2.53 110.316 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.139 -0.934 . . . . 2.76 111.156 178.844 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.573 ' SD ' ' HB3' ' A' ' 76' ' ' GLU . 7.8 mmt . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.695 -0.483 . . . . 2.17 109.695 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.9 m -73.84 129.29 37.6 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.987 -0.375 . . . . 0.82 109.987 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.541 ' HB2' HD22 ' A' ' 47' ' ' LEU . 77.3 mt -106.76 123.58 48.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.196 0.522 . . . . 0.39 111.063 -174.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.458 ' CE2' HD12 ' A' ' 48' ' ' ILE . 49.5 m-85 -114.37 151.23 33.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.612 -0.722 . . . . 1.3 109.957 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.4 p -144.52 120.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.574 0.702 . . . . 1.08 110.747 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 58' ' ' LEU . 6.2 mp -104.04 159.55 15.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.489 -0.93 . . . . 1.18 108.489 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.772 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.3 tt -150.45 120.58 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 120.515 -0.474 . . . . 0.55 112.173 -177.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.5 mp -106.66 81.53 1.59 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.542 -0.54 . . . . 1.24 109.542 167.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.414 ' OG ' HD23 ' A' ' 34' ' ' LEU . 41.5 t -148.41 144.03 27.19 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.707 -0.679 . . . . 1.27 109.171 171.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.455 ' HA ' HD11 ' A' ' 35' ' ' ILE . 2.5 p30 -126.77 85.94 2.44 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.94 -1.104 . . . . 2.75 110.326 164.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.611 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 22.8 t70 -121.19 134.88 55.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.14 -1.391 . . . . 1.57 107.709 162.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -66.26 -30.31 70.72 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.934 0.346 . . . . 2.93 111.934 -174.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -81.1 -49.47 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.828 0.347 . . . . 3.44 110.46 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.732 HD13 ' HA ' ' A' ' 111' ' ' PRO . 12.7 tp -57.43 -47.6 81.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.82 -0.627 . . . . 1.46 111.653 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 30' ' ' ASN . 64.5 mt -57.07 -40.86 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.549 0.214 . . . . 0.69 110.925 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 39.5 mt-10 -65.89 -54.97 19.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.818 -0.353 . . . . 2.15 111.178 178.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.61 -39.71 85.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.66 0.266 . . . . 2.05 111.062 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.59 89.63 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.153 -0.476 . . . . 0.51 110.689 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 40.5 ttt180 -67.33 -43.9 80.44 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.498 -0.319 . . . . 2.96 110.741 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.7 mttm -54.84 -42.14 71.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.473 0.178 . . . . 1.88 111.332 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.8 mmt -61.64 -55.77 27.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.78 0.324 . . . . 1.68 110.579 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -67.81 -29.54 68.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.957 -0.565 . . . . 0.49 111.729 -177.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 7.0 tp10 -63.04 -48.16 79.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.344 0.592 . . . . 2.41 109.56 -178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 5.2 mptp? -77.57 -24.93 49.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.47 -0.786 . . . . 3.63 110.912 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.46 -2.68 57.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.66 111.24 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 61.38 40.32 14.24 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.272 -0.876 . . . . 2.18 110.914 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 23' ' ' LEU . 29.8 mt -94.86 166.86 11.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.728 -0.669 . . . . 0.59 109.404 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.458 HD12 ' CE2' ' A' ' 24' ' ' PHE . 59.8 mt -101.46 95.05 3.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.142 0.496 . . . . 0.53 110.01 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 55.1 tp -87.94 135.06 33.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.513 -0.767 . . . . 1.14 110.269 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.8 mt -126.95 106.26 15.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.378 -0.373 . . . . 0.94 110.02 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.3 p -72.71 121.85 20.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.054 -0.521 . . . . 1.17 110.807 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 63.9 t -140.54 138.83 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.875 0.369 . . . . 1.38 111.241 -175.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -131.78 92.99 0.29 Allowed Glycine 0 N--CA 1.439 -1.165 0 C-N-CA 119.412 -1.375 . . . . 1.24 111.289 167.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 24.1 t70 164.95 150.57 0.02 OUTLIER 'General case' 0 C--O 1.232 0.178 0 C-N-CA 123.831 0.852 . . . . 1.98 109.154 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -63.77 -45.77 88.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.047 0.451 . . . . 2.21 112.022 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.685 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 44.8 mt-10 -83.51 -29.85 27.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.165 -0.47 . . . . 2.04 111.013 -174.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 36.1 mt-10 -65.09 -29.15 70.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.614 -0.434 . . . . 2.16 109.988 174.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 26' ' ' LEU . 54.5 tp -58.07 -45.11 87.66 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.185 -0.672 . . . . 0.83 109.185 172.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -62.14 -25.59 67.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 2.26 111.323 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 30.9 mmtp -83.16 -38.51 22.26 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.542 -0.754 . . . . 2.35 110.442 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.26 -36.39 79.35 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.39 -0.596 . . . . 0.47 109.39 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.453 ' CG2' ' HB2' ' A' ' 99' ' ' ALA . 85.8 mt -61.68 -49.79 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.379 -0.828 . . . . 0.83 110.493 174.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.59 -34.7 77.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 2.76 110.516 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.6 tttp -66.62 -48.9 68.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 2.11 110.305 177.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.03 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.149 0.499 . . . . 0.38 110.584 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.21 -36.42 75.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.341 -0.845 . . . . 1.36 110.446 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 18.2 t70 -70.16 -48.22 58.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.947 -0.569 . . . . 1.68 110.705 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 64' ' ' LYS . 70.2 mt -56.62 -44.86 81.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.771 -0.65 . . . . 0.51 110.967 -178.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -67.5 -56.64 8.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.696 -0.684 . . . . 0.53 111.879 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.66 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 89.2 mttt -59.24 -31.22 68.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.798 1.036 . . . . 1.5 113.798 -170.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 52.2 mtmt -58.22 -35.8 72.22 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.249 -0.581 . . . . 2.71 110.078 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -126.51 -54.52 1.45 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.946 1.462 . . . . 2.22 114.946 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.496 ' OD1' ' HA ' ' A' ' 21' ' ' MET . 3.3 t-20 -116.58 13.61 15.33 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.947 1.462 . . . . 2.41 114.947 -159.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.66 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 6.0 p -65.41 13.55 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.643 1.349 . . . . 3.38 114.643 -172.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.1 p -58.46 -41.35 84.97 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.866 -0.79 . . . . 2.75 108.866 171.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.573 ' HB3' ' SD ' ' A' ' 21' ' ' MET . 34.0 tt0 -152.14 116.65 5.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.918 -1.037 . . . . 2.76 109.47 170.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . -117.1 120.5 38.51 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.972 -0.558 . . . . 0.71 109.902 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 48.8 mttp -102.57 119.72 39.31 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.557 -0.534 . . . . 1.67 109.557 176.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.467 ' HB ' HG23 ' A' ' 103' ' ' VAL . 58.2 mt -115.55 131.43 67.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.895 -0.593 . . . . 0.49 109.686 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 38.4 tp -108.1 120.85 43.51 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.595 -0.521 . . . . 1.4 109.595 176.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.1 mt -104.94 99.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.233 0.54 . . . . 0.38 109.877 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.772 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.9 tm? -91.82 133.04 36.0 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.681 -0.859 . . . . 1.61 108.681 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.493 ' N ' HD13 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -162.02 170.62 18.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.061 0.457 . . . . 1.17 111.603 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -112.43 103.35 11.45 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.038 -1.097 . . . . 2.04 108.038 168.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -173.63 141.05 0.86 Allowed Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.549 -0.751 . . . . 2.02 109.231 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.3 117.39 4.53 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.394 1.396 . . . . 0.85 110.383 170.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.75 128.53 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.442 0.639 . . . . 1.17 112.043 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -100.94 154.23 37.27 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.337 -0.847 . . . . 1.44 109.982 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.574 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 89.2 Cg_exo -42.61 -42.27 8.36 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.219 2.613 . . . . 1.14 113.479 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.8 -41.24 32.0 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.18 0.592 . . . . 2.43 111.656 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -73.05 -37.67 66.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 3.78 110.798 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.439 ' HB2' HG22 ' A' ' 105' ' ' VAL . 29.8 tt0 -63.99 -45.62 88.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.033 -0.531 . . . . 1.46 110.055 177.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 13.3 mmmm -66.15 -34.72 78.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.481 -0.782 . . . . 3.25 109.507 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.22 -50.3 74.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.869 -0.605 . . . . 2.44 110.431 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -70.77 -34.29 71.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.903 -0.59 . . . . 1.14 110.36 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -64.46 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.631 -0.713 . . . . 2.2 110.055 177.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 94.5 mttt -73.6 -30.28 62.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.512 -0.313 . . . . 2.87 111.776 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -72.88 -50.36 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.693 0.283 . . . . 3.64 111.296 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.453 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -95.37 146.12 24.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.698 -0.482 . . . . 0.6 109.698 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.426 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 4.7 m-20 -88.88 99.81 12.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.422 -0.955 . . . . 1.77 108.422 177.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -175.32 -172.66 0.59 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.306 -1.315 . . . . 0.5 108.878 -173.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.49 88.62 2.96 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.993 -0.743 . . . . 1.77 108.993 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.467 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.9 p -84.41 144.9 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.441 -0.8 . . . . 1.05 110.544 -175.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -121.76 108.49 13.56 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.001 -1.0 . . . . 2.71 108.764 175.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 92' ' ' GLU . 14.8 m -84.96 130.61 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 C-N-CA 119.862 -0.735 . . . . 0.71 109.241 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 106' ' ' ARG . 17.8 mmm180 -128.67 120.23 26.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.137 0.494 . . . . 2.63 111.196 -176.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 15.1 t -97.43 138.81 34.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.625 -0.716 . . . . 0.64 109.879 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.41 162.79 36.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.779 0.323 . . . . 1.34 111.192 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.8 p -124.74 -2.17 7.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 1.22 111.273 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.7 m -152.52 149.37 22.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 0.93 110.813 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.732 ' HA ' HD13 ' A' ' 34' ' ' LEU . 80.7 Cg_exo -47.02 -47.79 15.94 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.158 2.572 . . . . 0.6 113.336 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.74 -40.54 69.41 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.496 -0.775 . . . . 2.04 112.465 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.8 -49.39 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.998 0.428 . . . . 2.21 111.002 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.25 84.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.688 -0.687 . . . . 0.48 111.827 -174.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -66.05 -28.39 68.81 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.711 -0.396 . . . . 1.53 110.541 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.4 -49.68 66.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.457 -0.338 . . . . 4.21 110.422 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -62.33 -43.74 98.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.99 110.493 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.15 -38.66 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.57 110.651 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.23 -48.67 74.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 2.66 110.476 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -64.19 -38.13 89.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 2.48 110.723 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.79 -25.39 68.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 1.43 110.796 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.494 ' OG ' HD11 ' A' ' 47' ' ' LEU . 16.6 m -95.49 -6.29 40.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.849 -0.614 . . . . 1.31 110.646 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -130.76 67.39 1.5 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.418 0.628 . . . . 2.53 110.033 -176.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.298 -0.858 . . . . 2.76 110.584 179.75 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.337 -0.246 . . . . 2.17 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.423 ' OG1' ' HB2' ' A' ' 73' ' ' ASN . 11.8 m -81.96 133.17 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.498 -0.481 . . . . 0.82 109.878 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.97 124.95 53.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.919 0.39 . . . . 0.39 110.829 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 81.3 m-85 -119.24 164.08 16.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.121 -0.49 . . . . 1.3 110.566 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.7 p -149.77 114.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.519 0.676 . . . . 1.08 110.802 174.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.538 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.7 mm? -92.88 157.28 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.327 -0.99 . . . . 1.18 108.327 173.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.1 tt -149.97 115.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.155 -0.618 . . . . 0.55 112.381 -174.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mp -106.48 77.58 1.21 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 108.751 -0.833 . . . . 1.24 108.751 165.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -149.73 87.08 1.47 Allowed 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 107.223 -1.399 . . . . 1.27 107.223 168.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -93.41 91.28 7.09 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.922 -1.111 . . . . 2.75 111.554 -170.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 23.4 t70 -117.72 142.38 47.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.027 -0.988 . . . . 1.57 109.261 165.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -57.89 -53.96 52.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 118.388 0.54 . . . . 2.93 111.269 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -69.14 -43.68 73.86 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.08 -0.509 . . . . 3.44 110.849 -175.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -57.36 -53.86 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.784 -0.644 . . . . 1.46 110.594 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.9 mt -51.52 -32.86 14.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.025 0.441 . . . . 0.69 111.213 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.6 mt-10 -77.06 -47.16 21.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.287 -0.415 . . . . 2.15 110.996 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.63 -37.55 86.76 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.059 0.457 . . . . 2.05 110.552 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.5 74.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.51 110.755 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 49.0 ttp180 -66.31 -46.32 77.31 Favored 'General case' 0 C--O 1.21 -1.009 0 C-N-CA 120.758 -0.377 . . . . 2.96 111.571 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 94.7 mttt -61.37 -30.18 70.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.883 0.373 . . . . 1.88 111.018 -176.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.7 tpt -76.08 -51.19 12.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.127 -0.488 . . . . 1.68 110.769 175.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -70.61 -28.67 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.348 -0.387 . . . . 0.49 111.805 -176.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 7.5 tp10 -62.49 -47.29 84.62 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.08 -0.711 . . . . 2.41 109.08 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -68.32 -25.1 64.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.019 -0.992 . . . . 3.63 111.3 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.08 1.76 34.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.087 -0.506 . . . . 0.66 110.926 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 62.86 29.89 16.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.486 -0.779 . . . . 2.18 110.907 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.413 HD12 HG23 ' A' ' 118' ' ' ILE . 72.4 mt -93.87 128.92 40.4 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.098 -0.705 . . . . 0.59 109.098 176.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.92 98.85 2.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.159 0.504 . . . . 0.53 109.871 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.426 ' HA ' HG13 ' A' ' 25' ' ' VAL . 34.3 tp -84.53 131.69 34.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.467 -0.788 . . . . 1.14 110.463 -178.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.538 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 65.3 mt -125.92 106.09 15.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.477 -0.564 . . . . 0.94 109.477 175.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 p -68.88 131.54 45.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.147 -0.479 . . . . 1.17 110.851 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.46 133.04 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.902 -0.59 . . . . 1.38 109.921 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -128.93 93.61 0.34 Allowed Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 119.252 -1.452 . . . . 1.24 112.507 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 24.2 t70 161.41 141.02 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.815 1.246 . . . . 1.98 107.65 174.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -70.64 -31.9 69.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.393 . . . . 2.21 110.856 -173.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.96 -39.63 49.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.142 -0.481 . . . . 2.04 109.822 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 14.1 mm-40 -73.48 -20.95 60.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.827 -0.624 . . . . 2.16 110.994 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 62' ' ' ILE . 56.3 tp -61.15 -42.38 98.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.468 -0.567 . . . . 0.83 109.468 172.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -63.31 -27.29 69.22 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.543 0.687 . . . . 2.26 110.802 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -76.85 -43.02 37.79 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.656 -1.156 . . . . 2.35 110.506 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.68 87.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 0.47 110.954 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 58' ' ' LEU . 61.5 mt -60.43 -43.15 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.09 0.471 . . . . 0.83 110.317 176.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.44 -39.35 94.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.787 -0.642 . . . . 2.76 110.542 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -61.05 -39.27 89.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.639 -0.71 . . . . 2.11 110.168 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.46 78.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.666 -0.697 . . . . 0.38 110.732 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -53.59 -43.03 68.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.162 0.506 . . . . 1.36 110.741 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.41 -39.68 88.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.229 -0.896 . . . . 1.68 111.431 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 63.9 mt -76.23 -44.3 36.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.348 . . . . 0.51 110.363 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.516 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -53.79 -53.88 46.15 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.53 111.493 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.661 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 46.9 mttp -68.92 -29.61 67.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.223 -0.899 . . . . 1.5 112.09 -174.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -55.82 -35.4 66.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.13 -0.486 . . . . 2.71 110.774 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -123.3 -52.74 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.761 1.023 . . . . 2.22 113.761 -173.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 12.9 m120 -111.74 19.73 17.74 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.346 0.499 . . . . 2.41 112.346 -168.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.661 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 84.5 p -42.48 -19.24 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.127 1.529 . . . . 3.38 115.127 -172.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 m -48.87 -39.55 26.24 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.844 0.354 . . . . 2.75 110.831 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -151.09 120.02 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.757 -0.46 . . . . 2.76 109.757 174.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.9 114.75 28.78 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.891 -0.411 . . . . 0.71 109.891 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -119.51 127.1 52.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.075 0.464 . . . . 1.67 109.996 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.415 ' HB ' HG23 ' A' ' 103' ' ' VAL . 63.3 mt -128.67 145.4 35.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.85 -0.614 . . . . 0.49 110.473 -173.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.9 tt -110.1 133.58 53.06 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.34 -0.985 . . . . 1.4 108.34 173.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.496 ' N ' HD23 ' A' ' 80' ' ' LEU . 82.6 mt -116.17 103.38 15.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.429 -0.582 . . . . 0.38 109.429 172.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.607 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 20.1 tp -101.71 107.46 18.69 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.63 -0.714 . . . . 1.61 110.023 -174.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -134.97 164.42 27.64 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.99 0.424 . . . . 1.17 111.962 -174.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 44.0 tt0 -103.2 103.14 13.16 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.19 -1.041 . . . . 2.04 108.19 169.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 57.9 mttm -170.12 162.71 6.47 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.586 -0.734 . . . . 2.02 109.762 -174.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -84.83 118.68 2.11 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.592 2.195 . . . . 0.85 110.638 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -117.75 122.49 69.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.775 -0.648 . . . . 1.17 111.266 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.1 m -100.52 156.72 34.89 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 115.919 -0.582 . . . . 1.44 109.678 173.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -44.98 -38.91 13.99 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.877 2.385 . . . . 1.14 113.239 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.61 -25.25 65.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 2.43 111.926 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.46 ' O ' ' HB3' ' A' ' 94' ' ' LYS . 42.0 t80 -76.37 -36.56 58.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.928 -0.397 . . . . 3.78 109.928 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.99 -47.98 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 1.46 110.183 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -70.15 -23.65 63.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 3.25 110.032 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 91' ' ' TYR . 5.1 tppp? -64.9 -51.93 59.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.249 -0.432 . . . . 2.44 109.892 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.5 -32.64 66.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.041 -0.527 . . . . 1.14 110.732 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.6 tm0? -69.23 -22.56 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 2.2 109.6 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -80.28 -28.11 38.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 2.87 111.485 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -71.87 -30.73 65.72 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.013 0.375 . . . . 3.64 112.013 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.59 142.45 51.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.714 -0.221 . . . . 0.6 110.471 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -79.16 99.75 7.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.636 0.731 . . . . 1.77 109.167 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.46 -175.06 0.63 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.425 -1.261 . . . . 0.5 108.977 -177.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 8.4 pt-20 -120.11 98.46 6.09 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.765 0.793 . . . . 1.77 108.941 168.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.415 HG23 ' HB ' ' A' ' 79' ' ' ILE . 9.5 p -95.54 141.34 15.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.512 -0.767 . . . . 1.05 110.861 -173.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -109.5 98.7 8.04 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.546 -0.909 . . . . 2.71 108.546 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.6 m -85.34 123.57 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.626 -0.429 . . . . 0.71 110.01 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -124.5 144.7 49.96 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.192 -0.318 . . . . 2.63 110.313 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 14.7 t -110.25 142.41 41.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.728 0.299 . . . . 0.64 110.533 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.3 m -135.5 151.7 30.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.87 0.367 . . . . 1.34 111.237 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.8 p -123.73 -14.74 7.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 1.22 111.194 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.6 m -137.26 143.12 40.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.935 -0.575 . . . . 0.93 110.055 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -52.94 -30.78 49.79 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.966 3.111 . . . . 0.6 114.562 -176.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -75.67 -27.74 58.44 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.819 -0.352 . . . . 2.04 111.444 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.45 -33.78 75.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.746 -0.464 . . . . 2.21 109.746 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.442 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -57.09 -52.08 66.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.495 -0.775 . . . . 0.48 110.596 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -62.81 -30.49 71.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 1.53 110.994 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -67.0 -44.09 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 4.21 110.514 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -70.48 -33.52 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.99 110.77 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 114' ' ' ALA . 91.0 mt -60.35 -47.27 93.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.57 110.649 177.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.19 -36.17 79.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 2.66 110.747 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -64.82 -52.74 55.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 2.48 110.307 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.48 -39.67 85.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 1.43 111.78 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.4 p -75.09 -18.12 60.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.739 0.304 . . . . 1.31 111.482 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -75.41 -59.17 2.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.445 -0.343 . . . . 2.53 110.717 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.989 -0.529 . . . . 2.76 110.985 -178.288 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.724 0.297 . . . . 2.17 110.481 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.414 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 25.0 m -130.45 144.09 51.18 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.37 -0.604 . . . . 0.82 109.37 176.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HB2' HD22 ' A' ' 47' ' ' LEU . 80.5 mt -105.12 107.51 18.54 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.391 0.615 . . . . 0.39 110.347 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CE2' HD12 ' A' ' 48' ' ' ILE . 65.5 m-85 -98.31 145.04 27.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.467 -0.788 . . . . 1.3 109.609 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.9 p -138.06 123.34 24.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.497 0.665 . . . . 1.08 110.822 176.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -110.1 160.63 16.3 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.855 -1.165 . . . . 1.18 107.855 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.407 HD11 HD22 ' A' ' 34' ' ' LEU . 9.0 tt -150.19 112.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 C-N-CA 120.537 -0.465 . . . . 0.55 111.182 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 52' ' ' VAL . 1.5 tp -96.79 77.97 2.86 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.29 -1.004 . . . . 1.24 108.29 172.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -150.44 89.94 1.61 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.725 -1.125 . . . . 1.27 109.694 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.09 87.2 5.47 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.721 -1.191 . . . . 2.75 110.57 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 30.6 t70 -119.42 163.6 16.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.295 -1.32 . . . . 1.57 108.23 169.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -88.69 -32.62 17.9 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.865 -0.734 . . . . 2.93 110.901 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -90.42 -42.58 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.695 0.283 . . . . 3.44 110.829 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 1.5 tt -56.87 -47.92 79.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.873 -0.603 . . . . 1.46 110.077 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -59.35 -44.73 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.544 . . . . 0.69 111.079 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 6.8 mm-40 -61.89 -54.09 46.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.596 -0.274 . . . . 2.15 111.649 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -63.49 -33.15 74.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.64 0.257 . . . . 2.05 111.437 -177.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -45.61 70.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.72 0.295 . . . . 0.51 110.761 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -67.18 -39.25 86.4 Favored 'General case' 0 C--O 1.214 -0.767 0 C-N-CA 120.665 -0.414 . . . . 2.96 111.073 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.4 mttm -55.68 -36.17 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.859 0.361 . . . . 1.88 110.998 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -53.11 8.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.299 -0.41 . . . . 1.68 111.35 176.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.18 79.41 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.381 0.511 . . . . 0.49 112.381 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.33 -43.53 90.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.22 0.533 . . . . 2.41 109.692 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -72.06 -27.97 63.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.725 -0.67 . . . . 3.63 110.355 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.7 -0.69 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.64 -0.709 . . . . 0.66 110.859 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 62.53 35.6 14.46 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.487 -0.779 . . . . 2.18 111.017 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.433 HD22 ' HB2' ' A' ' 23' ' ' LEU . 17.9 mt -92.7 154.11 18.53 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.456 -0.572 . . . . 0.59 109.456 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.43 HD12 ' CE2' ' A' ' 24' ' ' PHE . 42.7 mt -90.75 94.93 5.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.531 -0.544 . . . . 0.53 109.531 175.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 51.8 tp -87.37 118.37 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.353 -0.84 . . . . 1.14 110.832 -178.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.5 mt -110.12 100.0 9.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.188 -0.671 . . . . 0.94 109.188 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.6 m -82.71 117.37 22.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.875 -0.602 . . . . 1.17 110.913 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.501 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 3.1 m -136.08 141.42 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.732 -0.667 . . . . 1.38 110.092 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -126.83 94.2 0.41 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 119.626 -1.273 . . . . 1.24 111.947 175.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 22.4 t70 156.24 150.96 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.694 1.197 . . . . 1.98 108.436 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.75 -36.16 82.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.751 0.31 . . . . 2.21 110.996 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -80.07 -29.08 39.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.858 0.361 . . . . 2.04 110.338 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 27.7 mm-40 -64.92 -35.67 81.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.928 -0.578 . . . . 2.16 110.136 174.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.66 -35.8 81.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.288 -0.415 . . . . 0.83 110.187 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -57.41 -28.13 62.99 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.143 0.497 . . . . 2.26 111.377 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -90.2 -40.56 12.12 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.626 -0.715 . . . . 2.35 110.914 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.38 86.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.106 0.479 . . . . 0.47 110.313 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.7 mt -59.57 -47.84 89.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.48 -0.782 . . . . 0.83 110.931 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -68.11 -33.9 75.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.134 -0.484 . . . . 2.76 111.309 -175.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.1 ttpp -72.9 -38.53 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 2.11 110.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.6 91.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.087 0.47 . . . . 0.38 110.424 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.54 -44.3 80.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.345 -0.843 . . . . 1.36 111.042 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.01 -43.76 82.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.554 -0.748 . . . . 1.68 111.692 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 64' ' ' LYS . 61.3 mt -63.49 -40.21 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.009 0.433 . . . . 0.51 110.975 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.429 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -62.36 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.677 -0.692 . . . . 0.53 112.015 -174.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -72.63 -9.8 59.03 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.44 0.533 . . . . 1.5 112.44 -172.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -44.77 -47.33 10.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.668 0.605 . . . . 2.71 110.925 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.459 ' HG3' ' H ' ' A' ' 73' ' ' ASN . 4.1 pt20 -126.71 -63.41 1.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.074 1.139 . . . . 2.22 114.074 -173.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.459 ' H ' ' HG3' ' A' ' 72' ' ' GLN . 27.7 t-20 -120.28 -40.17 2.72 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.868 0.842 . . . . 2.41 112.301 -174.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.421 ' HB3' ' HB2' ' A' ' 77' ' ' ALA . 17.1 m -77.98 24.14 0.24 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.168 -1.378 . . . . 3.38 113.924 -162.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 p -46.4 -29.95 1.92 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.726 0.298 . . . . 2.75 111.193 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -113.2 99.51 7.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.139 -1.06 . . . . 2.76 108.139 165.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . -118.09 170.06 9.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.083 -0.508 . . . . 0.71 110.862 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -120.69 125.24 47.17 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.057 -0.72 . . . . 1.67 109.057 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 49.1 mt -120.59 146.67 25.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.086 -0.507 . . . . 0.49 110.008 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.4 tt -120.0 129.52 54.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.624 -0.88 . . . . 1.4 108.624 175.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.605 HG22 HD22 ' A' ' 83' ' ' LEU . 96.8 mt -117.78 113.27 41.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.831 0.348 . . . . 0.38 110.091 174.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD13 ' HB1' ' A' ' 114' ' ' ALA . 69.0 mt -92.51 101.41 13.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.875 -0.602 . . . . 1.61 109.56 176.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.605 HD22 HG22 ' A' ' 81' ' ' ILE . 1.5 pt? -123.44 139.2 54.26 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.912 -0.315 . . . . 1.17 111.021 -175.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -94.86 98.59 10.84 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 119.643 -0.823 . . . . 2.04 109.285 173.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -176.53 168.79 1.31 Allowed Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 114.765 -1.107 . . . . 2.02 108.028 170.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -76.45 122.67 6.63 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.062 1.841 . . . . 0.85 110.917 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.1 t -105.03 120.13 55.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.605 -0.725 . . . . 1.17 110.817 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.4 m -91.5 158.7 40.27 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.15 -0.477 . . . . 1.44 110.055 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -49.7 -49.59 15.45 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.732 2.288 . . . . 1.14 112.459 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.693 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 4.8 mp0 -58.33 -38.81 77.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.954 -0.567 . . . . 2.43 111.395 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.45 -40.53 87.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.389 . . . . 3.78 110.166 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.82 -55.74 31.18 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.754 -0.657 . . . . 1.46 110.969 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 19.9 ptmt -70.26 -17.76 63.12 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.744 -0.662 . . . . 3.25 111.643 -174.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.693 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 34.4 mmtp -66.46 -48.61 69.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.157 0.503 . . . . 2.44 109.72 172.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.4 mt -72.38 -36.53 68.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 1.14 110.118 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.461 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 28.9 tt0 -69.98 -27.98 65.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.319 -0.855 . . . . 2.2 110.736 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -82.14 -30.75 30.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 2.87 111.027 174.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.56 -50.02 75.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.094 -0.503 . . . . 3.64 110.27 -177.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.52 121.95 46.04 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.933 -0.765 . . . . 0.6 108.933 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.83 101.15 3.66 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.525 -0.87 . . . . 1.77 109.291 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.82 -168.16 0.34 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.047 -1.433 . . . . 0.5 108.423 -176.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -114.69 89.93 3.22 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.69 -0.485 . . . . 1.77 109.69 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 9.0 p -87.86 131.92 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.335 0.588 . . . . 1.05 110.301 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -104.62 99.29 8.96 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.715 -0.846 . . . . 2.71 108.715 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.8 m -77.56 130.05 36.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.166 0.507 . . . . 0.71 110.058 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' HB2' HD23 ' A' ' 82' ' ' LEU . 35.6 mmt180 -127.18 126.66 43.21 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.256 -0.429 . . . . 2.63 110.809 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 10.1 t -86.62 127.07 34.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 0.64 109.918 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.1 m -127.84 156.94 40.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.235 -0.438 . . . . 1.34 110.567 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 -20.49 1.87 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.281 -0.418 . . . . 1.22 110.866 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.5 m -143.71 147.91 40.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.605 -0.27 . . . . 0.93 111.481 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -46.41 -44.49 20.54 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.552 2.834 . . . . 0.6 114.272 -173.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.553 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -59.08 -31.68 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.425 0.528 . . . . 2.04 112.425 -174.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.39 -45.95 74.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.046 0.451 . . . . 2.21 109.943 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.502 ' HB1' HD13 ' A' ' 82' ' ' LEU . . . -58.76 -43.91 90.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.418 -0.81 . . . . 0.48 111.301 -178.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.553 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 55.5 mtmt -59.31 -35.01 73.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 1.53 111.18 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 112' ' ' ASP . 96.3 mtt180 -67.32 -47.03 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 4.21 110.853 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -63.71 -42.92 97.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.99 110.826 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.35 -42.79 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.446 . . . . 0.57 110.471 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.8 -47.2 86.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.728 -0.669 . . . . 2.66 110.914 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.28 -35.38 73.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.731 0.301 . . . . 2.48 111.338 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.41 ' CB ' HD12 ' A' ' 80' ' ' LEU . 59.0 t80 -68.42 -26.19 65.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 1.43 111.324 -176.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.7 t -78.03 -2.99 39.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.836 0.35 . . . . 1.31 110.473 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -103.89 23.1 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 2.53 110.998 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.686 -0.673 . . . . 2.76 110.076 177.278 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.829 0.347 . . . . 2.17 110.643 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 m -91.2 147.64 22.92 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.954 -0.758 . . . . 0.82 108.954 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 121' ' ' PHE . 60.2 mt -109.43 118.6 37.06 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.351 0.596 . . . . 0.39 111.569 -173.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 79' ' ' ILE . 49.7 m-85 -112.57 145.83 39.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.346 -0.843 . . . . 1.3 109.607 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 p -145.16 130.52 13.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-O 121.635 0.731 . . . . 1.08 111.192 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 58' ' ' LEU . 6.8 mp -102.87 159.78 15.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.644 -1.162 . . . . 1.18 109.508 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.9 tt -141.92 119.84 8.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.011 0.434 . . . . 0.55 110.815 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -118.63 77.47 1.18 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.328 -0.99 . . . . 1.24 108.328 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -149.12 88.94 1.62 Allowed 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.254 -1.387 . . . . 1.27 107.254 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -85.48 89.24 7.64 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 118.172 -1.411 . . . . 2.75 111.045 -169.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.617 ' OD2' ' HG2' ' A' ' 33' ' ' LYS . 6.0 t70 -117.42 138.79 51.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.667 -1.151 . . . . 1.57 108.152 162.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -54.76 -47.49 73.81 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.528 0.566 . . . . 2.93 112.528 -172.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.617 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 63.2 pttt -78.43 -31.15 47.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.922 0.391 . . . . 3.44 110.679 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.774 HD13 ' HA ' ' A' ' 111' ' ' PRO . 12.2 tp -66.32 -42.44 88.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.344 -0.389 . . . . 1.46 110.623 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG23 HG21 ' A' ' 51' ' ' THR . 45.0 mt -60.53 -40.49 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.69 111.579 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.6 pt-20 -77.2 -44.7 29.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.44 -0.504 . . . . 2.15 111.194 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.626 ' HA ' ' CG ' ' A' ' 40' ' ' LYS . 37.3 mm-40 -65.82 -30.34 70.95 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.945 0.35 . . . . 2.05 111.945 -176.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.63 96.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.945 0.402 . . . . 0.51 110.005 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -74.33 -34.56 63.47 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.271 -0.422 . . . . 2.96 110.685 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 33.0 mmtp -52.68 -42.76 65.05 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.533 0.682 . . . . 1.88 109.383 176.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 tpt -72.26 -52.5 16.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.802 -1.09 . . . . 1.68 111.492 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.28 -37.11 53.59 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.624 0.602 . . . . 0.49 112.624 -172.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.24 -46.6 86.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.272 0.558 . . . . 2.41 109.562 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -65.82 -28.87 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.5 -0.773 . . . . 3.63 110.249 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.18 -0.28 39.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.66 111.122 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 67.36 34.3 4.87 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.723 -0.672 . . . . 2.18 111.258 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -102.16 166.06 10.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.985 -0.746 . . . . 0.59 108.985 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -98.62 96.72 5.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.171 0.51 . . . . 0.53 109.752 174.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' CD1' HG23 ' A' ' 51' ' ' THR . 3.3 tm? -87.03 123.09 31.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.4 -0.818 . . . . 1.14 109.501 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.8 mt -113.71 114.53 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.94 110.57 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.405 HG21 HG23 ' A' ' 35' ' ' ILE . 7.6 p -93.99 125.83 38.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.193 -0.458 . . . . 1.17 111.091 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.6 m -134.52 146.82 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.42 -0.355 . . . . 1.38 110.508 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -122.57 94.48 0.52 Allowed Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.959 -1.115 . . . . 1.24 111.619 173.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 15.7 t70 140.78 141.82 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.207 1.803 . . . . 1.98 107.505 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -72.39 -22.14 61.17 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.877 0.37 . . . . 2.21 111.149 -173.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 10.5 mm-40 -83.74 -27.81 28.65 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.713 -0.477 . . . . 2.04 109.713 177.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -31.49 70.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 2.16 109.885 170.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.539 ' O ' HG13 ' A' ' 62' ' ' ILE . 23.9 tp -61.07 -40.37 93.42 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.83 109.591 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 43.1 mmtm -56.96 -33.16 66.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.466 0.651 . . . . 2.26 110.714 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.3 mmmt -79.69 -39.15 31.93 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.931 -1.032 . . . . 2.35 110.624 -176.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.02 81.25 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.47 110.106 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 58' ' ' LEU . 98.8 mt -60.36 -52.68 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 0.83 110.624 176.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 62.4 tttm -69.76 -32.19 70.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.495 -0.32 . . . . 2.76 110.633 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 68' ' ' ILE . 38.9 ttpt -64.62 -41.26 96.31 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.164 -0.31 . . . . 2.11 110.164 177.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.29 98.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.918 0.39 . . . . 0.38 109.975 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.506 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 9.0 t70 -54.81 -52.94 61.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.362 -0.836 . . . . 1.36 110.474 174.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.77 -47.63 84.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.578 -0.737 . . . . 1.68 112.105 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 64' ' ' LYS . 75.3 mt -66.97 -36.05 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.82 0.343 . . . . 0.51 111.128 -177.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.04 -63.62 1.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 0.53 111.767 -176.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 14.3 ptpt -69.75 -10.81 59.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.651 0.611 . . . . 1.5 112.651 -173.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -45.71 -46.18 14.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.931 0.77 . . . . 2.71 110.406 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 24.3 pt20 -128.82 -59.14 1.14 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.874 1.065 . . . . 2.22 113.874 -177.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 72' ' ' GLN . 25.4 p-10 -118.19 -36.83 3.48 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.528 0.936 . . . . 2.41 113.528 -171.166 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -89.18 24.54 2.12 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 113.554 0.946 . . . . 3.38 113.554 -159.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.414 ' HA ' ' HB3' ' A' ' 70' ' ' LYS . 22.7 t -44.75 -34.36 2.24 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.874 0.324 . . . . 2.75 111.874 -176.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -111.61 99.46 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.03 -0.729 . . . . 2.76 109.03 168.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.21 164.05 12.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.755 -0.657 . . . . 0.71 111.846 -173.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -106.07 122.94 47.2 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.206 -1.035 . . . . 1.67 108.206 169.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 41.8 mt -127.62 134.16 66.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 110.127 -0.323 . . . . 0.49 110.127 -177.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.447 HD13 ' CG ' ' A' ' 121' ' ' PHE . 7.4 mp -109.91 139.79 44.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.799 0.333 . . . . 1.4 110.287 171.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.517 HG22 HD22 ' A' ' 83' ' ' LEU . 82.5 mt -116.82 106.22 19.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 108.677 -0.86 . . . . 0.38 108.677 172.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -91.0 98.71 11.94 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.604 -0.517 . . . . 1.61 109.604 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.627 ' H ' HD23 ' A' ' 83' ' ' LEU . 1.5 pt? -128.13 147.22 50.54 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.177 -0.465 . . . . 1.17 110.756 -174.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -97.86 98.53 9.9 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 119.604 -0.838 . . . . 2.04 109.829 174.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -174.62 163.94 2.52 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 114.63 -1.168 . . . . 2.02 108.851 170.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.84 119.42 6.45 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.215 1.943 . . . . 0.85 111.23 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.424 HG22 ' HB ' ' A' ' 107' ' ' THR . 28.4 m -131.07 120.37 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 1.17 111.47 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -88.5 153.07 50.39 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.529 -0.76 . . . . 1.44 109.911 176.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.44 -30.12 62.3 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.317 2.011 . . . . 1.14 111.355 171.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -68.06 -40.31 82.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.578 -0.737 . . . . 2.43 109.654 175.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -67.63 -39.51 84.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.173 -0.921 . . . . 3.78 109.868 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.2 -38.04 75.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.843 -0.617 . . . . 1.46 110.728 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -59.59 -29.4 67.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.374 -0.376 . . . . 3.25 111.293 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -64.18 -46.04 85.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.066 0.46 . . . . 2.44 110.214 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.5 -33.36 36.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.947 -0.57 . . . . 1.14 110.589 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.412 ' HB2' HG12 ' A' ' 103' ' ' VAL . 10.0 tt0 -68.85 -30.8 69.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.569 . . . . 2.2 110.272 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -81.7 -26.18 34.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.09 -0.504 . . . . 2.87 110.822 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -68.31 -50.7 51.66 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.34 0.59 . . . . 3.64 110.273 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -108.14 119.31 39.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.405 -0.961 . . . . 0.6 108.405 173.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -76.14 103.03 5.98 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 122.024 0.916 . . . . 1.77 110.077 -173.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -173.77 -168.31 0.42 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 113.481 -1.691 . . . . 0.5 106.954 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -109.38 89.11 2.9 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 109.183 -0.673 . . . . 1.77 109.183 172.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.603 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.8 p -87.4 137.33 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.411 0.624 . . . . 1.05 109.713 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -120.75 99.38 6.5 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.171 -0.922 . . . . 2.71 108.623 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.52 128.17 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 109.61 -0.515 . . . . 0.71 109.61 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 106' ' ' ARG . 4.4 mmp_? -117.12 117.23 29.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.417 -0.356 . . . . 2.63 110.177 -176.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 3.9 t -85.36 99.54 11.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.739 0.78 . . . . 0.64 110.191 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.57 151.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.483 -0.781 . . . . 1.34 111.082 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -133.59 3.55 3.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.374 0.607 . . . . 1.22 110.309 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.0 m -155.36 148.71 18.48 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.753 -0.658 . . . . 0.93 109.462 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.774 ' HA ' HD13 ' A' ' 34' ' ' LEU . 23.0 Cg_exo -64.97 -25.3 59.53 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.018 2.478 . . . . 0.6 113.323 -175.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -78.28 -31.49 49.01 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.99 -0.284 . . . . 2.04 111.243 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.69 -42.94 98.15 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.773 -0.455 . . . . 2.21 109.773 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.58 -51.67 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.426 -0.806 . . . . 0.48 111.134 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.16 -36.61 82.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.986 -0.552 . . . . 1.53 110.809 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -68.33 -41.52 80.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 4.21 111.194 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -67.65 -40.85 84.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.677 0.275 . . . . 0.99 110.762 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.36 -39.8 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 0.57 109.961 174.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -58.95 -46.84 87.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.783 -0.644 . . . . 2.66 111.23 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -70.1 -27.5 64.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.238 0.542 . . . . 2.48 110.426 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 23' ' ' LEU . 11.2 t80 -75.86 -44.95 38.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.672 -0.695 . . . . 1.43 111.621 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.6 m -66.32 -26.53 67.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.25 -0.432 . . . . 1.31 111.787 -174.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -104.47 24.34 11.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.477 -0.329 . . . . 2.53 111.101 -176.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.68 -0.676 . . . . 2.76 110.278 -178.742 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.698 0.285 . . . . 2.17 110.292 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -113.27 134.33 54.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.596 -0.274 . . . . 0.82 110.292 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HB2' HD22 ' A' ' 47' ' ' LEU . 86.4 mt -114.58 119.16 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.062 0.458 . . . . 0.39 110.616 -177.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 47.4 m-85 -104.31 152.27 22.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.075 -0.511 . . . . 1.3 110.163 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.6 p -142.09 122.81 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.661 0.743 . . . . 1.08 110.811 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 58' ' ' LEU . 7.4 mp -111.39 158.93 18.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.159 -0.928 . . . . 1.18 108.762 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.9 tt -150.51 112.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 C-N-CA 120.85 -0.34 . . . . 0.55 111.194 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD11 HD22 ' A' ' 58' ' ' LEU . 26.9 mt -92.99 79.38 4.61 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.416 -0.957 . . . . 1.24 108.416 173.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 m -150.28 138.86 20.64 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.058 -0.973 . . . . 1.27 109.721 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -119.17 86.11 2.49 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.453 -1.299 . . . . 2.75 109.743 165.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.3 t70 -120.19 141.38 49.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.602 -1.181 . . . . 1.57 109.311 168.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -60.8 -55.44 33.09 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 118.377 0.535 . . . . 2.93 111.673 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 87.8 tttt -70.58 -46.81 62.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.464 . . . . 3.44 111.417 -173.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 111' ' ' PRO . 18.4 tp -57.15 -41.99 80.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 1.46 111.872 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mt -61.29 -33.35 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.875 0.369 . . . . 0.69 110.931 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 42.2 mt-10 -74.48 -47.79 31.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.364 -0.38 . . . . 2.15 110.067 174.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG3' ' HB3' ' A' ' 111' ' ' PRO . 32.9 mm-40 -55.95 -41.0 74.03 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.247 -0.433 . . . . 2.05 111.336 -178.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.52 -47.77 84.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.866 -0.606 . . . . 0.51 110.91 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -69.88 -36.76 75.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.41 -0.359 . . . . 2.96 110.936 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.2 mttm -51.9 -40.46 60.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 1.88 110.873 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.2 mmm -83.9 -45.98 12.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 1.68 111.383 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.06 72.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.205 0.446 . . . . 0.49 112.205 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.52 -46.43 86.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.448 -0.945 . . . . 2.41 108.448 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.69 -35.09 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.095 -0.957 . . . . 3.63 110.788 177.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -79.89 -5.0 54.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.881 -0.6 . . . . 0.66 111.229 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 62.61 45.06 6.34 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.282 -0.872 . . . . 2.18 110.365 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD22 ' HB2' ' A' ' 23' ' ' LEU . 19.1 mt -100.98 168.75 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.221 -0.899 . . . . 0.59 109.534 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.455 HD12 ' CE1' ' A' ' 24' ' ' PHE . 50.7 mt -100.82 104.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.872 -0.418 . . . . 0.53 109.872 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 41.1 tp -95.94 124.05 39.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.019 -0.537 . . . . 1.14 111.186 -176.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.49 109.9 27.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.477 -0.564 . . . . 0.94 109.477 173.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 m -89.66 101.1 13.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.06 -0.518 . . . . 1.17 110.948 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 7.6 m -122.78 141.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.954 -0.566 . . . . 1.38 110.255 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.607 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -120.53 96.17 0.6 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 119.874 -1.155 . . . . 1.24 112.219 177.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 16.4 t70 155.51 151.48 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.734 1.214 . . . . 1.98 108.417 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -71.81 -28.36 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 2.21 110.715 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 29.3 mm-40 -86.51 -34.41 20.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.897 -0.409 . . . . 2.04 109.897 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 22.1 mm-40 -64.13 -32.01 73.41 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.817 -0.438 . . . . 2.16 109.817 173.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.515 HD12 HD23 ' A' ' 26' ' ' LEU . 53.3 tp -55.58 -45.46 77.35 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.339 -0.615 . . . . 0.83 109.339 172.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.39 -18.13 64.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.528 -0.76 . . . . 2.26 111.85 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 64.5 mmtt -90.2 -37.03 14.42 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.781 -0.645 . . . . 2.35 110.439 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.81 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.098 -0.705 . . . . 0.47 109.098 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.671 HG23 ' HB2' ' A' ' 99' ' ' ALA . 40.5 mt -59.76 -41.87 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.924 -1.034 . . . . 0.83 110.554 173.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -60.13 -46.1 90.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 2.76 111.123 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' HG13 ' A' ' 68' ' ' ILE . 18.3 ptpt -73.71 -33.93 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.923 -0.311 . . . . 2.11 110.87 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.77 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.38 110.429 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.625 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 1.4 t70 -59.47 -41.03 88.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.384 -0.826 . . . . 1.36 110.515 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.3 -49.79 65.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 1.68 111.656 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 64' ' ' LYS . 96.1 mt -60.51 -46.0 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.51 110.923 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.598 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -63.15 -56.74 14.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.53 111.635 -177.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.603 ' HA ' ' CB ' ' A' ' 74' ' ' SER . 49.8 mtpt -76.73 -12.78 60.04 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 112.691 0.626 . . . . 1.5 112.691 -170.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -67.57 -37.02 82.03 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.102 -0.703 . . . . 2.71 109.102 173.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -126.57 -54.15 1.45 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.685 1.365 . . . . 2.22 114.685 -173.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -114.67 14.82 17.64 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.746 1.387 . . . . 2.41 114.746 -160.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.603 ' CB ' ' HA ' ' A' ' 70' ' ' LYS . 2.8 p -65.32 14.45 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.496 1.295 . . . . 3.38 114.496 -174.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 p -56.01 -37.86 69.73 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.142 -0.688 . . . . 2.75 109.142 169.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -159.98 101.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.272 -0.876 . . . . 2.76 109.187 168.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.0 146.68 33.5 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.196 -0.457 . . . . 0.71 110.353 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.517 ' HE2' ' OE1' ' A' ' 102' ' ' GLU . 89.1 mttt -135.42 143.26 45.87 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.198 -0.297 . . . . 1.67 110.198 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.485 ' HB ' HG22 ' A' ' 103' ' ' VAL . 62.4 mt -131.09 117.82 38.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.299 -0.41 . . . . 0.49 110.138 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 104' ' ' ARG . 33.0 tp -95.3 112.49 24.19 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.87 -0.418 . . . . 1.4 109.87 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.642 HG22 HD22 ' A' ' 83' ' ' LEU . 73.2 mt -102.08 117.6 47.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.596 -0.441 . . . . 0.38 109.835 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 82.3 mt -101.43 119.34 38.61 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.681 -0.489 . . . . 1.61 109.681 175.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -139.98 138.95 35.93 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.421 -0.354 . . . . 1.17 110.178 -177.695 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -87.06 98.04 11.06 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.393 -0.923 . . . . 2.04 109.485 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -176.21 162.01 1.86 Allowed Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 114.658 -1.156 . . . . 2.02 108.021 168.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -63.3 119.29 6.3 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 121.3 1.334 . . . . 0.85 109.811 167.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 m -99.2 141.74 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.268 0.556 . . . . 1.17 111.629 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.9 m -95.03 127.48 42.67 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.424 -0.807 . . . . 1.44 109.694 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -58.33 -30.49 91.25 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.141 2.561 . . . . 1.14 112.834 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.07 -36.06 72.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.047 0.451 . . . . 2.43 110.288 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -67.25 -28.68 68.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.816 -0.629 . . . . 3.78 110.152 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.51 -38.65 91.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 1.46 110.44 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -72.48 -33.45 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.24 -0.652 . . . . 3.25 109.24 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.568 ' HE3' ' OH ' ' A' ' 98' ' ' TYR . 59.0 tttp -65.66 -33.67 76.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.19 -0.913 . . . . 2.44 109.932 176.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.572 HD12 HG11 ' A' ' 105' ' ' VAL . 78.7 mt -75.94 -42.91 47.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.14 111.633 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.56 HE21 ' C ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -77.06 -4.08 42.46 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.591 -0.843 . . . . 2.2 110.208 174.384 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -80.69 -28.74 36.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 2.87 110.159 169.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.568 ' OH ' ' HE3' ' A' ' 94' ' ' LYS . 19.5 m-85 -75.52 -51.08 13.78 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.178 0.513 . . . . 3.64 110.299 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 62' ' ' ILE . . . -108.68 131.8 54.56 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 115.717 -0.674 . . . . 0.6 109.468 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.559 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 13.2 m-20 -83.06 99.67 10.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.388 1.089 . . . . 1.77 109.553 -177.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -173.93 173.61 3.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 112.662 -2.063 . . . . 0.5 106.378 176.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.517 ' OE1' ' HE2' ' A' ' 78' ' ' LYS . 6.5 mt-10 -87.58 91.1 8.62 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 118.884 -1.127 . . . . 1.77 108.608 173.207 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.551 ' H ' ' HB3' ' A' ' 96' ' ' GLN . 40.7 t -81.07 114.93 22.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.507 -0.769 . . . . 1.05 109.895 -178.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.473 ' O ' HD12 ' A' ' 80' ' ' LEU . 33.0 mtp180 -108.77 110.83 22.31 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.531 -0.914 . . . . 2.71 108.531 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.572 HG11 HD12 ' A' ' 95' ' ' LEU . 5.1 m -106.01 126.38 61.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.41 0.624 . . . . 0.71 110.646 -172.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 49.4 mmt-85 -125.29 147.95 48.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.857 -0.61 . . . . 2.63 110.96 -174.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.649 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 14.5 t -86.42 136.48 33.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.746 -0.661 . . . . 0.64 110.168 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 p -127.05 109.26 20.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.234 0.54 . . . . 1.34 111.034 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -100.39 -17.99 16.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.046 -0.525 . . . . 1.22 111.397 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.7 m -138.34 151.61 69.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.446 . . . . 0.93 110.767 -177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.689 ' HA ' HD13 ' A' ' 34' ' ' LEU . 72.7 Cg_exo -49.21 -44.92 31.84 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.612 2.208 . . . . 0.6 112.413 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.524 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 14.5 t70 -59.37 -40.22 85.81 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.838 -0.619 . . . . 2.04 111.667 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -55.11 -44.61 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.347 0.404 . . . . 2.21 111.294 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.34 98.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.48 110.79 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -62.02 -30.79 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 1.53 110.734 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 112' ' ' ASP . 23.4 mmt180 -68.79 -54.57 15.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 4.21 110.656 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -63.44 -37.08 85.89 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.174 -0.467 . . . . 0.99 111.394 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.42 -41.86 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.57 110.489 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -60.73 -46.73 89.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 2.66 110.02 178.162 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.24 -45.05 96.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.666 -0.697 . . . . 2.48 110.588 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 56.7 t80 -61.75 -37.76 85.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.627 -0.715 . . . . 1.43 111.432 -176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.6 t -69.55 -20.84 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.238 -0.437 . . . . 1.31 110.966 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 119' ' ' LYS . 57.1 mm-40 -97.44 -5.94 35.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.316 . . . . 2.53 110.714 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.64 -0.695 . . . . 2.76 110.176 -176.685 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.432 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.527 0.204 . . . . 2.17 110.591 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.4 m -125.46 146.95 49.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.144 -0.687 . . . . 0.82 109.144 172.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' CB ' HD22 ' A' ' 47' ' ' LEU . 84.5 mt -110.08 114.93 28.85 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.234 0.54 . . . . 0.39 111.075 -176.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CE1' HD12 ' A' ' 48' ' ' ILE . 52.5 m-85 -111.17 157.94 19.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.65 -0.705 . . . . 1.3 109.712 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.6 p -148.17 120.12 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.506 0.669 . . . . 1.08 111.371 176.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -103.14 163.53 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.242 -0.89 . . . . 1.18 108.917 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.549 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.7 tt -149.9 126.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 121.153 -0.219 . . . . 0.55 111.576 -178.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD11 HD13 ' A' ' 58' ' ' LEU . 6.7 mp -112.89 80.46 1.35 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.319 0.581 . . . . 1.24 109.499 172.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -150.53 115.84 5.41 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.268 -1.012 . . . . 1.27 108.268 171.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.52 86.75 7.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 117.588 -1.645 . . . . 2.75 110.08 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.645 ' O ' HD13 ' A' ' 35' ' ' ILE . 22.8 t70 -120.75 163.84 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 113.985 -1.461 . . . . 1.57 108.206 166.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 43.2 mttm -91.29 -40.68 11.36 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.935 -0.706 . . . . 2.93 111.453 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -37.72 21.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.515 -0.311 . . . . 3.44 111.238 -174.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.04 -37.18 73.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.97 0.414 . . . . 1.46 110.039 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.645 HD13 ' O ' ' A' ' 31' ' ' ASP . 1.7 mp -64.98 -43.71 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.834 -0.621 . . . . 0.69 110.618 177.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 54.6 mt-10 -65.09 -49.02 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 2.15 110.573 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -54.98 -41.97 71.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 2.05 111.142 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.68 72.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.546 . . . . 0.51 111.028 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 58.9 ttt180 -72.46 -29.85 64.04 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 111.918 0.34 . . . . 2.96 111.918 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 67.5 mttm -64.31 -32.7 74.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.918 -0.489 . . . . 1.88 110.658 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.2 mmt -81.63 -46.57 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 1.68 110.625 174.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -64.1 -39.45 94.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 0.49 112.084 -178.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 10.1 mt-10 -60.86 -43.18 98.71 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.34 0.59 . . . . 2.41 109.794 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.29 -35.3 79.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.185 -0.916 . . . . 3.63 110.226 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -82.21 0.75 39.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.986 -0.552 . . . . 0.66 111.721 -178.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.4 t30 64.81 36.41 7.95 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.583 0.706 . . . . 2.18 110.743 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.452 HD22 ' CB ' ' A' ' 23' ' ' LEU . 12.6 mt -99.87 168.61 9.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.791 -0.64 . . . . 0.59 109.964 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 24' ' ' PHE . 44.3 mt -106.36 101.57 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.142 -0.481 . . . . 0.53 109.913 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.512 ' HA ' HG13 ' A' ' 25' ' ' VAL . 3.5 tm? -90.54 118.3 29.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.849 -0.614 . . . . 1.14 110.241 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.57 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 63.5 mt -121.39 120.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.164 -0.471 . . . . 0.94 110.343 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.2 p -82.53 130.75 35.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.088 -0.506 . . . . 1.17 110.108 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.72 157.08 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.222 0.534 . . . . 1.38 111.891 -173.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.1 -164.38 37.24 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.183 -0.917 . . . . 1.24 112.883 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -44.16 166.69 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.516 1.302 . . . . 1.98 114.516 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 58' ' ' LEU . 30.5 mt-10 -39.77 -45.35 1.73 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.157 1.169 . . . . 2.21 114.157 -173.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 8.1 mm-40 -64.64 -40.09 94.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.125 0.488 . . . . 2.04 111.108 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.29 -35.22 75.8 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.482 -0.562 . . . . 2.16 109.482 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.545 HD13 HD11 ' A' ' 28' ' ' LEU . 51.4 tp -57.97 -37.17 73.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.624 -0.716 . . . . 0.83 110.518 174.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 52.8 mttp -53.01 -36.69 60.77 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.602 0.715 . . . . 2.26 110.925 176.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 45.7 mttp -82.95 -35.3 26.12 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.961 -1.018 . . . . 2.35 111.058 -176.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.64 -38.09 80.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.165 0.507 . . . . 0.47 110.207 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CG2' ' HB2' ' A' ' 99' ' ' ALA . 75.3 mt -63.41 -42.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.488 -0.778 . . . . 0.83 110.207 175.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -69.78 -29.39 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 2.76 110.303 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 67.3 mttm -62.54 -51.78 66.02 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.852 -0.425 . . . . 2.11 109.852 172.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -47.3 86.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.808 -0.633 . . . . 0.38 110.891 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.641 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 6.4 t70 -59.1 -41.65 88.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.787 -0.642 . . . . 1.36 110.963 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.89 -45.25 86.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.525 -0.307 . . . . 1.68 111.181 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 64' ' ' LYS . 81.5 mt -62.34 -34.08 62.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.22 0.533 . . . . 0.51 110.082 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.1 -48.28 68.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.731 -0.668 . . . . 0.53 110.642 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 73.1 mmtt -52.4 -34.87 50.16 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 112.151 0.426 . . . . 1.5 112.151 -177.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -46.53 -51.38 15.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.822 0.701 . . . . 2.71 109.84 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -126.66 -53.02 1.46 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.194 1.183 . . . . 2.22 114.194 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -114.99 12.63 16.8 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 115.669 1.729 . . . . 2.41 115.669 -158.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.467 ' CB ' ' HD3' ' A' ' 70' ' ' LYS . 23.1 t -68.38 1.52 2.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.871 0.759 . . . . 3.38 112.494 -175.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 p -57.02 -40.09 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.42 -0.585 . . . . 2.75 109.42 171.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 21' ' ' MET . 6.4 tp10 -164.99 132.54 3.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.114 -0.948 . . . . 2.76 108.633 171.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -152.39 165.37 35.21 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.048 -0.353 . . . . 0.71 110.048 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -126.86 136.79 52.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.949 0.404 . . . . 1.67 109.991 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 54.1 mt -127.63 141.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.078 -0.51 . . . . 0.49 110.046 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.2 tt -113.88 132.75 55.8 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.59 -0.892 . . . . 1.4 108.59 175.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.53 106.31 19.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.959 -0.386 . . . . 0.38 109.959 175.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 96.0 mt -92.06 98.48 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.102 0.477 . . . . 1.61 109.963 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.603 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -119.43 179.15 4.29 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 109.581 -0.525 . . . . 1.17 109.581 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -122.32 99.86 6.64 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.599 -0.84 . . . . 2.04 110.033 170.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' HG2' HD13 ' A' ' 83' ' ' LEU . 18.7 ptmt -177.72 145.41 0.56 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.817 -1.083 . . . . 2.02 108.458 171.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -65.58 119.12 6.09 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 121.738 1.625 . . . . 0.85 111.336 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.7 m -123.02 123.04 67.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.432 0.634 . . . . 1.17 111.751 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.4 m -88.6 160.47 44.5 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.576 -0.738 . . . . 1.44 110.394 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -42.35 -44.75 7.97 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.813 3.008 . . . . 1.14 114.632 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.22 -38.43 79.93 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.737 0.303 . . . . 2.43 111.564 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -63.92 -33.71 76.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.345 -0.389 . . . . 3.78 110.753 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.2 -35.44 77.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.25 -0.432 . . . . 1.46 110.832 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -69.27 -25.26 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.503 . . . . 3.25 110.269 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -65.38 -50.36 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.316 -0.624 . . . . 2.44 109.316 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.86 -34.38 64.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.625 -0.716 . . . . 1.14 110.384 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -70.31 -22.67 62.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.811 -0.632 . . . . 2.2 110.658 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -80.4 -26.76 38.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.146 -0.479 . . . . 2.87 111.641 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -69.55 -31.4 69.58 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.049 0.388 . . . . 3.64 112.049 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -120.19 154.13 35.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.983 -0.377 . . . . 0.6 109.983 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -91.21 96.98 10.85 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.67 -1.212 . . . . 1.77 108.353 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.17 173.43 2.19 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.833 -1.53 . . . . 0.5 108.377 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -98.74 91.53 5.14 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.962 -0.755 . . . . 1.77 108.962 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 5.5 p -85.51 135.6 24.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.273 0.558 . . . . 1.05 110.233 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -113.58 99.22 7.57 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.611 -0.885 . . . . 2.71 108.611 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.676 ' O ' ' HD2' ' A' ' 106' ' ' ARG . 33.5 m -76.62 129.52 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.368 -0.378 . . . . 0.71 110.544 -174.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.676 ' HD2' ' O ' ' A' ' 105' ' ' VAL . 1.9 mpt_? -131.35 143.19 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.511 -0.313 . . . . 2.63 110.796 -177.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 9.8 t -109.95 127.45 54.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.251 0.548 . . . . 0.64 110.188 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.1 m -127.98 147.97 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.915 -0.584 . . . . 1.34 110.905 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.9 p -118.36 -31.5 4.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.946 -0.57 . . . . 1.22 110.434 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 32.6 m -118.68 141.7 30.39 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.93 110.335 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 110' ' ' SER . 37.8 Cg_exo -58.33 -18.9 40.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.487 2.791 . . . . 0.6 114.311 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.02 -29.77 55.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.098 -0.376 . . . . 2.04 110.38 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.28 -41.35 94.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.503 . . . . 2.21 109.803 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -56.44 -46.79 80.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.356 -0.838 . . . . 0.48 110.527 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -61.14 -35.82 78.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.724 -0.671 . . . . 1.53 110.999 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.36 -52.36 62.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 4.21 110.925 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -64.06 -40.23 95.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.99 111.449 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 114' ' ' ALA . 87.1 mt -60.34 -42.9 92.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.636 0.255 . . . . 0.57 111.225 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.4 -38.74 90.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 2.66 110.846 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.569 ' O ' ' HB3' ' A' ' 124' ' ' GLU . 69.8 mm-40 -72.6 -22.75 60.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.291 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -89.79 -31.26 17.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.973 -0.558 . . . . 1.43 111.352 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.5 p -76.93 -59.16 2.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.319 -0.4 . . . . 1.31 111.019 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -108.85 65.26 0.62 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.348 0.594 . . . . 2.53 111.108 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.569 ' HB3' ' O ' ' A' ' 120' ' ' GLU . 7.2 pt-20 . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.868 -0.605 . . . . 2.76 111.014 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.862 0.363 . . . . 2.17 110.376 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.6 m -92.3 135.95 33.6 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.987 -0.745 . . . . 0.82 108.987 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -103.34 119.4 38.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.283 0.563 . . . . 0.39 111.183 -174.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -108.96 141.32 41.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.366 -0.833 . . . . 1.3 109.898 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 4.2 p -128.53 125.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.596 0.712 . . . . 1.08 110.512 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -111.16 157.22 20.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.158 -0.928 . . . . 1.18 108.961 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.6 tt -150.8 129.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.565 0.58 . . . . 0.55 112.565 -173.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.449 HD11 HD13 ' A' ' 58' ' ' LEU . 5.1 mp -119.71 79.05 1.38 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.505 -0.924 . . . . 1.24 108.505 166.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -149.47 89.75 1.66 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.812 -0.631 . . . . 1.27 109.433 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -85.05 86.56 7.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.393 -1.323 . . . . 2.75 110.594 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 8.6 m-20 -119.8 146.08 46.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.59 -1.186 . . . . 1.57 108.291 164.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 30.0 mmmt -71.02 -36.27 72.34 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.455 -0.498 . . . . 2.93 110.524 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -76.18 -47.71 23.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 3.44 110.972 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.57 ' CD2' ' HA ' ' A' ' 111' ' ' PRO . 1.9 tm? -59.33 -47.78 84.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.836 -0.62 . . . . 1.46 110.945 -175.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.4 mt -59.29 -39.53 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.597 -0.274 . . . . 0.69 111.224 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 65.7 mm-40 -60.85 -64.4 0.97 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.616 -0.265 . . . . 2.15 110.755 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.67 -34.23 74.01 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.448 -0.342 . . . . 2.05 111.503 -175.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.4 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 0.51 110.898 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -68.8 -36.84 78.75 Favored 'General case' 0 C--O 1.212 -0.918 0 C-N-CA 120.514 -0.475 . . . . 2.96 110.824 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.61 -35.76 80.6 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.874 -0.33 . . . . 1.88 110.883 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.9 mmt -76.54 -46.44 26.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.597 -0.274 . . . . 1.68 110.913 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.56 78.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.711 0.291 . . . . 0.49 111.333 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.54 -44.68 95.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.771 0.795 . . . . 2.41 108.959 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -65.92 -38.05 87.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.438 -1.256 . . . . 3.63 110.068 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.43 3.04 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.678 -0.692 . . . . 0.66 111.471 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 58.33 36.86 25.85 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.263 -0.88 . . . . 2.18 111.419 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.422 HD12 HG23 ' A' ' 118' ' ' ILE . 56.6 mt -97.25 140.91 31.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.853 -0.612 . . . . 0.59 109.351 177.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.39 101.45 7.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.789 -0.448 . . . . 0.53 109.789 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 41.0 tp -88.3 127.21 35.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 1.14 111.093 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -116.19 99.57 8.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.197 -0.668 . . . . 0.94 109.197 173.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 m -77.33 124.66 28.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.886 -0.597 . . . . 1.17 110.355 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 61' ' ' ALA . 12.9 m -133.85 -175.76 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.18 -0.464 . . . . 1.38 110.971 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 54' ' ' ASP . . . -152.85 99.58 0.19 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.945 -0.645 . . . . 1.24 111.999 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 53' ' ' GLY . 21.6 t70 102.75 155.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.273 1.429 . . . . 1.98 111.236 174.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.18 -47.24 65.64 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.171 0.434 . . . . 2.21 112.171 -172.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' O ' ' HE3' ' A' ' 60' ' ' LYS . 15.0 mm-40 -60.73 -34.9 75.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.93 0.395 . . . . 2.04 110.617 -178.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -76.25 -27.37 56.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.677 -0.692 . . . . 2.16 110.916 177.323 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.655 ' O ' HG13 ' A' ' 62' ' ' ILE . 65.0 tp -74.59 -36.63 63.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.469 -0.332 . . . . 0.83 110.56 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.89 -55.42 35.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.926 0.393 . . . . 2.26 112.0 -176.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HE3' ' O ' ' A' ' 56' ' ' GLU . 14.4 ptpt -55.63 -30.66 61.32 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.49 -0.777 . . . . 2.35 111.685 174.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.509 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -74.55 -45.89 42.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.398 0.142 . . . . 0.47 111.081 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.655 HG13 ' O ' ' A' ' 58' ' ' LEU . 22.1 mt -60.63 -41.13 86.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.419 0.628 . . . . 0.83 109.354 176.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -60.44 -42.08 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.151 -0.931 . . . . 2.76 110.316 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -69.44 -37.22 77.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 2.11 111.112 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.87 72.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.946 0.403 . . . . 0.38 110.397 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.45 -32.54 73.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.992 -0.549 . . . . 1.36 110.665 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 14.4 t70 -60.33 -51.22 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.711 . . . . 1.68 110.685 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.36 -35.99 73.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.51 110.244 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 74' ' ' SER . . . -60.17 -61.19 2.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.669 -0.696 . . . . 0.53 111.142 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 75' ' ' SER . 50.0 mttp -72.89 -12.58 61.02 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.347 0.499 . . . . 1.5 112.347 -177.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 2.6 tppp? -51.77 -45.9 63.94 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.464 0.477 . . . . 2.71 110.439 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.446 ' HG3' ' H ' ' A' ' 73' ' ' ASN . 19.2 pt20 -129.85 -62.22 0.97 Allowed 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.612 1.338 . . . . 2.22 114.612 -177.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.446 ' H ' ' HG3' ' A' ' 72' ' ' GLN . 63.6 t30 -120.59 -41.77 2.57 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.204 0.816 . . . . 2.41 113.204 -170.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.491 ' HB3' ' HA ' ' A' ' 69' ' ' ALA . 19.8 t -79.67 24.32 0.38 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.045 -0.98 . . . . 3.38 113.187 -164.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 70' ' ' LYS . 38.2 m -44.85 -29.64 0.84 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.252 0.834 . . . . 2.75 113.252 -172.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -112.83 99.05 7.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.558 -0.904 . . . . 2.76 108.558 168.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.41 165.75 12.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.372 0.606 . . . . 0.71 112.075 -172.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -113.55 133.13 55.43 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.212 -1.033 . . . . 1.67 108.212 174.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.49 ' HB ' HG23 ' A' ' 103' ' ' VAL . 63.9 mt -128.7 140.58 48.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.805 0.336 . . . . 0.49 110.591 -174.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.39 134.45 52.3 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.063 -0.717 . . . . 1.4 109.063 177.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.439 HD13 HD21 ' A' ' 58' ' ' LEU . 96.4 mt -118.45 101.9 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.796 0.331 . . . . 0.38 110.16 175.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 99.3 mt -93.79 101.21 13.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 1.61 110.465 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -126.79 157.66 38.63 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 121.128 -0.229 . . . . 1.17 111.002 -179.414 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 2.0 tm-20 -98.07 101.5 13.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.062 -1.088 . . . . 2.04 108.062 170.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 63.8 mttm -171.42 151.66 3.07 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 114.775 -1.102 . . . . 2.02 108.302 -177.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.2 117.82 4.51 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.677 1.585 . . . . 0.85 109.906 167.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.6 m -124.33 139.04 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.137 0.494 . . . . 1.17 111.905 -174.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.9 p -101.21 160.0 27.86 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.693 -0.685 . . . . 1.44 110.322 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.3 -31.98 86.53 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.325 2.016 . . . . 1.14 111.572 173.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.92 -47.96 84.02 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.611 -0.722 . . . . 2.43 110.736 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -65.36 -36.49 84.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 3.78 110.324 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.09 -44.4 94.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.209 -0.451 . . . . 1.46 110.204 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.15 -33.46 75.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.503 . . . . 3.25 110.47 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.57 -40.78 97.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 2.44 110.707 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.94 -33.78 39.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.296 -0.411 . . . . 1.14 110.649 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.93 -34.73 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.445 -0.576 . . . . 2.2 109.445 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? -80.93 -20.83 41.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 2.87 111.349 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -66.29 -50.62 63.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 3.64 110.179 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.412 ' CB ' HG22 ' A' ' 62' ' ' ILE . . . -112.87 132.32 55.35 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.577 -0.527 . . . . 0.6 109.577 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.82 100.34 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.708 0.766 . . . . 1.77 109.697 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.97 -175.09 0.7 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.154 -1.384 . . . . 0.5 107.839 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -111.12 89.0 2.92 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.45 -0.574 . . . . 1.77 109.45 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.49 HG23 ' HB ' ' A' ' 79' ' ' ILE . 3.3 p -90.47 141.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.393 0.616 . . . . 1.05 110.016 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -124.47 107.46 11.11 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.445 -0.946 . . . . 2.71 108.445 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.8 m -82.22 139.77 17.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.43 -0.508 . . . . 0.71 109.987 -174.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.439 ' HB2' HD23 ' A' ' 82' ' ' LEU . 34.7 mmt180 -136.73 140.19 42.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.884 0.373 . . . . 2.63 110.688 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 8.8 t -95.11 131.86 40.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.015 -0.539 . . . . 0.64 109.869 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' A' ' 114' ' ' ALA . 3.9 p -129.21 125.16 61.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.129 -0.487 . . . . 1.34 111.154 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.3 p -119.3 -2.03 10.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.22 -0.446 . . . . 1.22 111.129 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.0 m -154.63 147.34 17.81 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-N 116.784 -0.189 . . . . 0.93 111.247 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 32.5 Cg_exo -38.52 -53.99 1.65 Allowed 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 123.972 3.115 . . . . 0.6 114.602 176.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 41.1 m-20 -57.55 -38.33 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 2.04 111.991 -173.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.09 -47.71 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 2.21 110.372 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' A' ' 108' ' ' VAL . . . -60.86 -44.21 97.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.898 -0.592 . . . . 0.48 110.523 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -62.55 -29.51 70.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 1.53 111.152 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 112' ' ' ASP . 63.7 mtt180 -67.09 -53.14 33.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.485 -0.325 . . . . 4.21 110.41 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -65.58 -44.67 85.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.945 -0.571 . . . . 0.99 111.157 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 47' ' ' LEU . 82.7 mt -57.36 -41.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.57 110.997 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.506 ' HA ' ' HE3' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -64.54 -47.09 80.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.786 -0.643 . . . . 2.66 110.526 -178.827 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.48 -50.12 64.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 2.48 111.074 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -58.31 -37.06 74.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.965 -0.561 . . . . 1.43 111.372 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.0 t -70.39 -55.58 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.245 -0.434 . . . . 1.31 110.65 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -135.59 90.66 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.383 0.611 . . . . 2.53 111.386 -175.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.275 -0.869 . . . . 2.76 109.778 176.786 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.089 -0.338 . . . . 2.17 110.089 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -79.73 132.34 36.16 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.705 -0.398 . . . . 0.82 110.378 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.462 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 64.6 mt -111.62 120.05 40.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.851 0.358 . . . . 0.39 110.813 -177.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 72.9 m-85 -113.43 155.79 24.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 1.3 110.586 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.489 ' HB ' HD22 ' A' ' 49' ' ' LEU . 22.8 t -135.42 111.73 13.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.137 -0.483 . . . . 1.08 110.522 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.06 154.17 19.59 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.801 -1.185 . . . . 1.18 107.801 167.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.5 tt -151.17 125.12 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.878 -0.329 . . . . 0.55 111.084 -177.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -112.81 78.83 1.16 Allowed 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.775 -0.824 . . . . 1.24 108.775 168.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -150.95 100.31 2.79 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.473 -0.785 . . . . 1.27 109.401 173.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -82.24 85.72 6.78 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 117.863 -1.535 . . . . 2.75 109.506 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.532 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 10.6 t70 -120.75 115.67 23.76 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.727 -1.124 . . . . 1.57 107.993 167.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 34.5 mmtp -61.6 -37.35 83.59 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.819 0.674 . . . . 2.93 112.819 -170.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -26.65 25.02 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.589 -0.444 . . . . 3.44 110.772 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.532 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -63.64 -55.52 22.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.316 -0.624 . . . . 1.46 109.316 174.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.8 mt -52.48 -31.63 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.401 -0.818 . . . . 0.69 110.813 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 11.6 mm-40 -65.08 -58.38 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 2.15 110.559 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.68 -41.71 99.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.554 . . . . 2.05 111.215 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.62 96.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.004 -0.544 . . . . 0.51 111.14 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 45.4 ttt180 -70.4 -47.94 58.5 Favored 'General case' 0 C--O 1.21 -1.007 0 C-N-CA 120.102 -0.639 . . . . 2.96 110.392 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.52 -34.86 69.55 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.876 0.37 . . . . 1.88 110.739 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.405 ' SD ' ' HB ' ' A' ' 118' ' ' ILE . 33.1 ttm -62.64 -52.58 62.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.863 -0.608 . . . . 1.68 110.231 173.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.581 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -65.96 -29.29 69.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 0.49 111.503 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 39.4 mm-40 -59.51 -52.2 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.542 0.687 . . . . 2.41 109.679 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -74.36 -28.07 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.005 -0.998 . . . . 3.63 111.331 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.36 -0.64 53.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.756 0.312 . . . . 0.66 111.342 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.4 m120 60.19 38.55 20.06 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.838 -0.619 . . . . 2.18 111.485 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.581 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 15.3 mt -103.01 161.31 13.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.098 -0.705 . . . . 0.59 109.098 177.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.423 HD12 ' CE1' ' A' ' 24' ' ' PHE . 50.4 mt -101.33 97.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.235 0.54 . . . . 0.53 110.939 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD22 ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -81.68 120.63 25.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.51 -0.768 . . . . 1.14 108.96 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.4 mt -117.16 108.16 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.868 -0.419 . . . . 0.94 109.868 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 p -72.39 126.5 29.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.127 -0.488 . . . . 1.17 110.943 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.446 HG13 ' HG2' ' A' ' 57' ' ' GLU . 40.4 t -134.5 155.43 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.739 0.304 . . . . 1.38 110.984 -174.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.604 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -155.91 94.94 0.14 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.561 -0.828 . . . . 1.24 111.897 168.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.604 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 14.2 t70 144.53 140.89 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.756 1.622 . . . . 1.98 107.387 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 45.2 mt-10 -69.22 -25.29 64.24 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.843 0.354 . . . . 2.21 111.053 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 43.9 mt-10 -86.74 -25.48 24.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.882 -0.414 . . . . 2.04 109.882 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HG2' HG13 ' A' ' 52' ' ' VAL . 34.3 tt0 -70.71 -28.33 64.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.18 -0.674 . . . . 2.16 109.18 171.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 62' ' ' ILE . 14.4 mt -60.14 -44.15 95.16 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.804 -0.443 . . . . 0.83 109.804 169.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 65.1 mttm -54.73 -27.73 43.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.586 . . . . 2.26 110.994 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -90.1 -45.11 9.36 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.351 -0.84 . . . . 2.35 110.645 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.16 75.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.47 111.386 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 58' ' ' LEU . 65.1 mt -69.3 -38.87 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.983 0.42 . . . . 0.83 109.971 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -65.65 -35.71 81.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.101 0.476 . . . . 2.76 109.862 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -68.56 -36.47 78.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.619 -0.718 . . . . 2.11 110.7 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.09 82.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.027 0.441 . . . . 0.38 109.893 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.04 -41.44 78.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.577 -0.738 . . . . 1.36 110.381 174.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.43 -50.16 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.586 -0.734 . . . . 1.68 111.488 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.38 -38.4 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.141 0.496 . . . . 0.51 110.808 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.534 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -69.25 -49.15 58.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.841 -0.618 . . . . 0.53 111.525 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.588 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 0.8 OUTLIER -73.8 -18.4 60.96 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.266 0.839 . . . . 1.5 113.266 -170.731 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.7 -33.06 75.01 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.182 -0.607 . . . . 2.71 109.506 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -125.6 -53.51 1.57 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.626 1.343 . . . . 2.22 114.626 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -115.66 16.18 16.47 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.32 1.23 . . . . 2.41 114.32 -161.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.588 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -62.46 14.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 115.189 1.552 . . . . 3.38 115.189 -172.281 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -62.06 -30.8 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.612 -0.885 . . . . 2.75 108.612 168.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -170.15 137.23 1.51 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.266 -0.879 . . . . 2.76 109.547 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.65 137.63 35.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.724 0.297 . . . . 0.71 110.745 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 65.4 mttm -123.56 141.84 51.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.199 -0.667 . . . . 1.67 109.199 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.459 ' HB ' HG23 ' A' ' 103' ' ' VAL . 61.8 mt -138.72 139.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.57 0.224 . . . . 0.49 111.266 -174.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 80' ' ' LEU . 14.8 mt -101.07 143.09 31.62 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.09 -0.337 . . . . 1.4 110.09 169.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 92.0 mt -120.19 96.04 4.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.864 -0.791 . . . . 0.38 108.864 165.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 25.1 mt -77.76 141.61 39.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.114 -0.698 . . . . 1.61 109.114 174.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.412 HD22 ' HE3' ' A' ' 85' ' ' LYS . 1.1 pp -170.29 164.5 8.93 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.902 -0.407 . . . . 1.17 109.902 177.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 40.3 mt-10 -117.43 99.19 6.83 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.006 -0.677 . . . . 2.04 109.935 174.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.412 ' HE3' HD22 ' A' ' 83' ' ' LEU . 16.6 pttp -177.13 159.08 1.42 Allowed Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 114.992 -1.003 . . . . 2.02 108.524 170.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.16 118.89 5.81 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.247 1.965 . . . . 0.85 112.019 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.7 m -116.32 127.87 73.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.253 0.549 . . . . 1.17 110.895 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.4 m -91.82 158.43 40.0 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.988 -0.551 . . . . 1.44 110.021 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.71 -44.68 25.83 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.729 2.286 . . . . 1.14 113.38 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 44.2 mt-10 -72.99 -12.18 60.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.513 -0.312 . . . . 2.43 111.833 -175.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -69.21 -39.29 78.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.341 -0.614 . . . . 3.78 109.341 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.454 ' HB2' HG22 ' A' ' 105' ' ' VAL . 39.5 tt0 -69.5 -38.02 77.45 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.495 -0.775 . . . . 1.46 110.313 177.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -60.22 -43.33 96.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.94 -0.573 . . . . 3.25 110.686 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 64.6 mttp -63.87 -38.37 90.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.4 -0.364 . . . . 2.44 111.11 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.52 -34.21 54.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.888 0.375 . . . . 1.14 110.83 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.97 -35.71 80.57 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.047 -0.723 . . . . 2.2 109.047 176.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -75.49 -28.08 59.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.117 -0.492 . . . . 2.87 111.406 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -63.62 -42.76 98.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 3.64 110.872 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.73 128.54 48.95 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.153 -0.476 . . . . 0.6 110.097 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.24 101.21 1.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.56 0.695 . . . . 1.77 109.749 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.79 -179.63 0.98 Allowed 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 114.322 -1.308 . . . . 0.5 107.696 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -104.4 89.29 3.19 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 120.088 -0.645 . . . . 1.77 109.275 170.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG23 ' HB ' ' A' ' 79' ' ' ILE . 3.0 p -87.92 135.77 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.444 0.64 . . . . 1.05 109.705 178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.425 ' HA ' ' OE2' ' A' ' 92' ' ' GLU . 39.8 ttm180 -119.71 99.81 6.88 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.223 -1.029 . . . . 2.71 108.223 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.454 HG22 ' HB2' ' A' ' 92' ' ' GLU . 13.3 m -72.42 133.71 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.274 -0.639 . . . . 0.71 109.274 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.547 ' HB2' HD23 ' A' ' 82' ' ' LEU . 3.4 mmp_? -126.45 113.25 16.6 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.163 -0.336 . . . . 2.63 110.42 -174.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.9 t -89.25 120.7 30.85 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.392 -0.595 . . . . 0.64 109.392 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 24.0 m -106.29 139.33 27.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 1.34 111.376 -174.093 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.0 p -110.34 -4.74 15.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.917 -0.583 . . . . 1.22 111.161 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.446 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 58.9 m -161.82 151.72 13.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.66 -0.496 . . . . 0.93 109.66 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.434 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 51.7 Cg_exo -54.79 -38.44 91.98 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.258 1.972 . . . . 0.6 112.229 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.56 -40.66 95.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.829 -0.623 . . . . 2.04 110.922 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.446 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 42.2 mm-40 -58.33 -47.39 83.87 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.228 -0.442 . . . . 2.21 110.208 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.05 74.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.722 -0.672 . . . . 0.48 110.885 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -63.76 -38.43 91.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.775 -0.648 . . . . 1.53 110.846 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 120' ' ' GLU . 1.2 mpt_? -65.11 -44.05 90.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.462 -0.335 . . . . 4.21 111.119 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -61.45 -42.29 98.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.667 0.27 . . . . 0.99 110.753 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.405 ' HB ' ' SD ' ' A' ' 41' ' ' MET . 66.3 mt -70.62 -39.5 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.381 -0.372 . . . . 0.57 110.888 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.96 -45.67 86.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.888 0.375 . . . . 2.66 110.397 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 45.4 mt-10 -69.65 -41.4 75.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.575 . . . . 2.48 110.264 178.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 64.5 t80 -63.84 -21.69 66.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 1.43 111.604 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.7 m -64.23 -26.75 68.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.784 0.326 . . . . 1.31 110.387 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 178.83 88.71 0.01 OUTLIER 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.868 -0.605 . . . . 2.53 109.781 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.418 ' HG2' ' OXT' ' A' ' 124' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.11 -0.948 . . . . 2.76 110.811 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.543 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 25.4 ptt? . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 120.664 0.269 . . . . 2.17 110.52 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.606 ' OG1' ' HB2' ' A' ' 73' ' ' ASN . 3.3 m -85.01 127.67 34.3 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.561 -0.533 . . . . 0.82 109.561 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -104.72 114.95 29.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.251 0.548 . . . . 0.39 110.809 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.439 ' HB2' HG12 ' A' ' 79' ' ' ILE . 37.5 m-85 -105.98 157.87 17.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.54 -0.755 . . . . 1.3 109.325 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 2.6 p -143.43 130.86 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.805 0.812 . . . . 1.08 111.127 173.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.453 HD23 HD12 ' A' ' 58' ' ' LEU . 10.4 mp -115.98 162.96 16.6 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.644 -1.162 . . . . 1.18 109.135 176.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.1 tt -148.37 128.76 4.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 116.386 -0.37 . . . . 0.55 110.448 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 58' ' ' LEU . 6.7 tp -124.57 77.9 1.62 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 119.625 -0.83 . . . . 1.24 109.235 170.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.405 ' HB3' HD21 ' A' ' 34' ' ' LEU . 5.8 t -149.26 88.94 1.61 Allowed 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 107.099 -1.445 . . . . 1.27 107.099 170.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -85.01 88.86 7.49 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.332 -1.347 . . . . 2.75 111.393 -170.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.552 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 8.9 t70 -119.27 140.12 50.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.346 -1.297 . . . . 1.57 108.08 162.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 13.8 mptt -58.05 -61.47 2.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.672 0.669 . . . . 2.93 112.037 -175.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -68.92 -31.0 69.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.489 0.185 . . . . 3.44 111.253 -174.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.562 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 30.1 tp -57.45 -55.3 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 1.46 110.349 174.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.5 mt -59.0 -43.24 88.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.69 111.071 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 45.2 mt-10 -62.7 -51.97 65.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.407 -0.36 . . . . 2.15 111.382 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -67.39 -35.68 79.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.641 0.258 . . . . 2.05 111.376 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.11 79.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.51 110.606 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -63.96 -44.97 91.2 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.19 -0.459 . . . . 2.96 110.895 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 65.9 mttm -52.75 -34.62 53.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.909 0.385 . . . . 1.88 110.945 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.9 tpt -72.61 -55.03 7.51 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.885 -0.598 . . . . 1.68 111.328 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -32.38 61.04 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.325 0.491 . . . . 0.49 112.325 -174.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -61.28 -45.15 95.68 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.344 -0.614 . . . . 2.41 109.344 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -79.51 -20.41 47.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.779 -0.646 . . . . 3.63 111.309 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.2 1.65 17.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.01 0.433 . . . . 0.66 111.04 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 63.37 32.97 14.25 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.327 -0.852 . . . . 2.18 110.688 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.61 140.56 31.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.627 -0.715 . . . . 0.59 109.225 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.5 mt -78.94 91.73 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.374 0.607 . . . . 0.53 109.799 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 62.2 tp -89.94 133.43 34.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.215 -0.902 . . . . 1.14 111.037 -176.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.0 mt -122.92 99.78 7.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.872 -0.604 . . . . 0.94 109.663 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 p -81.35 114.38 20.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.806 -0.634 . . . . 1.17 110.961 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 58' ' ' LEU . 6.1 m -123.84 164.58 21.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.282 -0.417 . . . . 1.38 110.97 -177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -140.98 97.38 0.21 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.585 -0.817 . . . . 1.24 112.305 176.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.0 t70 135.42 149.99 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.956 1.703 . . . . 1.98 108.925 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -62.05 -43.12 99.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.928 0.394 . . . . 2.21 110.67 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.42 -30.38 67.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 2.04 110.91 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -62.51 -41.87 99.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 2.16 110.173 175.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.54 ' HB2' HD13 ' A' ' 28' ' ' LEU . 24.3 tp -62.08 -41.52 98.27 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.825 -0.625 . . . . 0.83 109.998 175.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -60.25 -25.51 65.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.085 -0.961 . . . . 2.26 110.936 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 49.8 mttm -90.57 -35.82 14.8 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.248 -0.887 . . . . 2.35 111.096 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.3 95.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.156 0.503 . . . . 0.47 109.751 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.0 mt -58.64 -46.19 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.858 . . . . 0.83 110.795 176.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -66.21 -43.25 87.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 2.76 111.305 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 7.1 mtpm? -69.15 -27.35 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 2.11 111.112 -177.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.39 -33.35 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.38 110.538 177.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.47 -43.44 98.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 1.36 110.193 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.9 -36.99 75.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.994 -0.548 . . . . 1.68 111.303 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.5 mt -74.66 -39.16 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.003 0.43 . . . . 0.51 110.139 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.14 -53.85 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.754 -0.657 . . . . 0.53 110.94 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.706 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 29.3 mmtp -59.18 -31.12 68.71 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.946 -0.57 . . . . 1.5 111.417 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.48 -41.57 73.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.551 -0.749 . . . . 2.71 110.476 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 6.8 pt20 -125.23 -54.79 1.58 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.556 1.317 . . . . 2.22 114.556 -176.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.606 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 0.8 OUTLIER -117.95 14.62 14.19 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.115 1.895 . . . . 2.41 116.115 -162.738 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.706 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 5.2 p -60.22 -1.73 0.36 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.361 1.245 . . . . 3.38 114.361 -172.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.7 m -58.91 -32.89 69.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.21 -0.663 . . . . 2.75 109.21 169.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -165.08 103.6 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.079 -0.964 . . . . 2.76 109.312 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.31 150.89 39.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.935 -0.575 . . . . 0.71 109.685 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.543 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 47.5 mtmt -136.17 139.47 42.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.081 0.467 . . . . 1.67 110.56 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.58 ' HB ' HG23 ' A' ' 103' ' ' VAL . 53.9 mt -124.0 142.16 41.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.663 -0.698 . . . . 0.49 109.632 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.04 126.49 52.4 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.483 -0.932 . . . . 1.4 108.483 174.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.6 mt -116.18 107.86 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.58 -0.448 . . . . 0.38 110.474 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 106' ' ' ARG . 96.8 mt -95.26 99.04 11.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.499 . . . . 1.61 110.04 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -123.05 159.5 28.29 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 121.161 -0.215 . . . . 1.17 110.603 -178.767 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -102.49 101.55 11.76 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.527 -0.869 . . . . 2.04 108.998 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -174.38 144.22 0.92 Allowed Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 114.933 -1.031 . . . . 2.02 108.452 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.17 119.97 7.1 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 121.917 1.744 . . . . 0.85 110.635 170.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 m -124.6 130.86 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.337 0.589 . . . . 1.17 111.677 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.421 ' HB2' ' HD2' ' A' ' 89' ' ' PRO . 60.0 p -100.12 172.82 4.22 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.417 -0.81 . . . . 1.44 109.855 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 88' ' ' SER . 59.4 Cg_exo -54.27 -29.64 58.28 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 121.815 1.677 . . . . 1.14 111.542 171.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 42.3 mt-10 -70.84 -45.07 65.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.483 -0.78 . . . . 2.43 110.434 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.12 -45.64 83.31 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.917 0.389 . . . . 3.78 110.525 174.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.73 -44.56 86.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.662 -0.699 . . . . 1.46 110.784 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -61.55 -37.22 82.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.665 -0.698 . . . . 3.25 110.9 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 34.8 mmtp -59.78 -46.3 89.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 2.44 110.701 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.7 mt -80.18 -35.33 36.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.988 -0.551 . . . . 1.14 110.867 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -70.94 -29.32 65.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.986 -0.552 . . . . 2.2 110.818 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -81.56 -29.19 33.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.349 -0.387 . . . . 2.87 111.506 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -65.58 -50.39 65.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 3.64 111.0 -176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.24 148.57 24.96 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.652 -0.87 . . . . 0.6 108.652 174.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -88.9 99.25 12.25 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.652 -1.219 . . . . 1.77 108.754 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.0 160.38 2.28 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.06 -1.427 . . . . 0.5 108.528 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -91.58 89.16 7.05 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.727 -0.842 . . . . 1.77 108.727 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.58 HG23 ' HB ' ' A' ' 79' ' ' ILE . 8.8 p -84.22 131.56 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.602 0.715 . . . . 1.05 110.714 -176.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -99.77 98.92 9.68 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.107 -0.951 . . . . 2.71 108.58 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.65 116.45 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.182 0.515 . . . . 0.71 109.824 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.513 ' HB2' HD23 ' A' ' 82' ' ' LEU . 5.4 mmp_? -119.53 137.36 53.87 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 122.156 -0.34 . . . . 2.63 110.42 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 12.4 t -90.6 132.87 35.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.537 -0.542 . . . . 0.64 109.537 178.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 114' ' ' ALA . 10.4 p -126.33 146.52 32.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.406 -0.361 . . . . 1.34 111.125 -175.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.3 p -131.5 -17.52 2.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 1.22 111.331 175.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 4.2 p -138.4 140.59 28.67 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-O 121.367 0.603 . . . . 0.93 111.375 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.562 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 88.7 Cg_exo -50.18 -36.81 47.32 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.459 3.439 . . . . 0.6 114.032 -177.718 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.15 -38.2 78.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.468 -0.333 . . . . 2.04 111.199 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.58 -36.63 81.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.782 0.325 . . . . 2.21 110.127 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.469 ' HB2' HG21 ' A' ' 108' ' ' VAL . . . -56.95 -50.02 73.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.48 110.114 175.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -61.32 -31.69 71.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.725 -0.67 . . . . 1.53 111.172 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -65.31 -51.52 60.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.275 -0.421 . . . . 4.21 110.798 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -64.18 -39.14 93.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.99 110.82 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.12 -46.51 91.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.57 110.505 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -60.42 -46.8 88.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 2.66 110.92 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -65.52 -35.68 81.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.779 -0.646 . . . . 2.48 111.351 -177.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -77.97 -32.84 51.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.947 0.403 . . . . 1.43 110.552 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.2 t -64.31 -46.85 81.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 1.31 110.755 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -90.71 73.54 6.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.04 -0.527 . . . . 2.53 111.748 -173.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.72 -0.673 . . . . 2.76 109.534 174.06 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.627 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 49.9 ttp . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.307 -0.257 . . . . 2.17 110.307 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -83.14 121.49 27.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.252 -0.277 . . . . 0.82 110.252 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -100.66 123.9 45.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.14 0.495 . . . . 0.39 111.03 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 44.8 m-85 -113.92 161.72 17.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.86 -0.609 . . . . 1.3 109.969 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.3 p -149.14 132.33 7.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.499 0.666 . . . . 1.08 111.057 172.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.506 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -111.31 160.89 16.61 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.927 -1.033 . . . . 1.18 109.05 175.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.548 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 17.9 tt -151.07 126.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.522 -0.471 . . . . 0.55 111.734 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -117.24 78.55 1.23 Allowed 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.826 -1.176 . . . . 1.24 107.826 165.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.6 m -149.85 89.65 1.63 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.176 -0.92 . . . . 1.27 110.128 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.438 ' HA ' HD11 ' A' ' 35' ' ' ILE . 40.7 m-80 -90.2 87.39 6.83 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 118.055 -1.458 . . . . 2.75 110.731 -177.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.618 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 7.4 t70 -120.66 135.32 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.331 -1.304 . . . . 1.57 108.204 162.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -56.31 -56.82 16.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 118.771 0.714 . . . . 2.93 112.048 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -72.69 -34.45 67.17 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.084 -0.246 . . . . 3.44 111.476 -174.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 41.1 tp -57.62 -50.41 73.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.673 0.273 . . . . 1.46 110.553 176.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 30' ' ' ASN . 57.8 mt -59.72 -39.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 0.69 110.667 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 8.5 mm-40 -57.78 -58.01 10.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 2.15 110.427 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 59.8 mm-40 -59.6 -44.49 93.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.884 -0.598 . . . . 2.05 111.488 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.38 85.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.51 111.175 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 39' ' ' ARG . 15.0 ttt180 -66.49 -50.69 62.43 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 120.566 -0.454 . . . . 2.96 110.251 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 95.5 mttt -53.59 -39.8 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 1.88 111.287 -176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.4 tpt -67.26 -53.84 26.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.861 -0.609 . . . . 1.68 110.936 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -72.99 -27.05 61.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.49 111.767 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.2 -46.04 78.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.193 0.521 . . . . 2.41 110.098 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -78.16 -16.81 57.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.788 -0.642 . . . . 3.63 110.425 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.41 -2.51 57.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.87 -0.605 . . . . 0.66 109.97 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.3 t30 60.7 34.19 20.05 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.027 -0.988 . . . . 2.18 111.355 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 19.9 mt -86.89 155.17 20.35 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.078 -0.712 . . . . 0.59 109.078 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.486 HD12 ' CE2' ' A' ' 24' ' ' PHE . 50.0 mt -90.27 92.02 3.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.452 0.644 . . . . 0.53 109.902 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 39' ' ' ARG . 48.8 tp -92.33 116.61 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.028 -0.987 . . . . 1.14 110.479 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.506 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 51.3 mt -108.97 106.89 21.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.065 0.46 . . . . 0.94 109.786 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.3 p -87.78 112.38 22.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.856 -0.611 . . . . 1.17 111.03 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 58' ' ' LEU . 35.7 m -125.94 166.96 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.446 -0.576 . . . . 1.38 109.446 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -136.97 95.35 0.23 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.81 -1.186 . . . . 1.24 112.521 174.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 30.9 t70 154.89 150.12 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.324 1.45 . . . . 1.98 108.1 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.41 -38.37 81.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.124 0.488 . . . . 2.21 110.267 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 7.3 mm-40 -72.28 -40.55 67.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.102 -0.499 . . . . 2.04 110.051 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.14 -31.6 72.1 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.185 -0.461 . . . . 2.16 111.11 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.471 ' HA ' HG21 ' A' ' 52' ' ' VAL . 45.8 tp -60.58 -40.77 92.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.83 110.11 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -67.94 -19.68 64.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.898 -0.592 . . . . 2.26 111.05 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 6.3 mmpt? -86.86 -33.48 19.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.717 -0.674 . . . . 2.35 109.754 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.74 -43.71 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.634 -0.712 . . . . 0.47 109.674 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.406 HG22 ' HB2' ' A' ' 99' ' ' ALA . 87.9 mt -57.68 -44.02 84.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.311 -0.859 . . . . 0.83 110.458 174.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -61.76 -42.93 99.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 2.76 110.725 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' O ' HG13 ' A' ' 68' ' ' ILE . 38.4 ttmt -62.22 -38.87 90.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 2.11 110.051 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.05 99.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.38 110.421 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 24.4 t70 -59.58 -44.95 93.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.826 -0.625 . . . . 1.36 110.461 176.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -62.54 -48.25 80.34 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.053 -0.522 . . . . 1.68 111.524 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 64' ' ' LYS . 81.7 mt -62.68 -44.24 99.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 120.857 0.361 . . . . 0.51 110.717 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -64.66 -42.73 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.53 110.81 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.582 ' NZ ' ' HB2' ' A' ' 100' ' ' ASP . 9.1 tppt? -54.75 -36.08 64.43 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.502 -0.772 . . . . 1.5 111.95 -174.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? . . . . . 0 N--CA 1.445 -0.715 0 CA-C-N 115.75 -0.659 . . . . 2.71 110.571 -178.637 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.681 0 N-CA-C 109.315 -0.624 . . . . 0.71 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.627 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 54.2 mtmt -126.33 137.7 53.51 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.908 -0.405 . . . . 1.67 109.908 177.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.502 ' HB ' HG23 ' A' ' 103' ' ' VAL . 53.3 mt -130.38 142.76 42.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.739 -0.664 . . . . 0.49 109.919 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 21.6 tp -113.88 136.1 53.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.09 -0.707 . . . . 1.4 109.09 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.485 HG22 HD22 ' A' ' 83' ' ' LEU . 70.4 mt -120.31 109.61 26.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.868 -0.419 . . . . 0.38 109.868 176.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 71.1 mt -93.67 104.77 16.85 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.486 -0.561 . . . . 1.61 109.486 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.644 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.5 pt? -128.26 156.43 43.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 120.626 0.251 . . . . 1.17 110.485 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -99.33 98.32 9.28 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.437 -1.32 . . . . 2.04 107.437 169.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -175.16 140.29 0.63 Allowed Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.808 -1.087 . . . . 2.02 108.368 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.8 118.63 5.56 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 121.656 1.57 . . . . 0.85 110.722 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.1 m -110.98 129.8 65.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.226 0.536 . . . . 1.17 111.712 -175.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 m -101.1 157.27 33.97 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.786 -0.643 . . . . 1.44 110.495 176.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.409 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 80.6 Cg_exo -47.17 -51.41 9.46 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.9 2.4 . . . . 1.14 112.994 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.71 -36.82 77.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.497 -0.32 . . . . 2.43 111.04 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -62.97 -39.14 93.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 3.78 110.108 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.38 -45.09 92.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.8 -0.636 . . . . 1.46 110.789 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 67.5 mmtt -73.18 -22.23 60.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 3.25 110.779 -174.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -64.42 -46.51 82.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.968 0.413 . . . . 2.44 110.1 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.77 -32.68 62.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.028 -0.533 . . . . 1.14 110.274 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.445 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 24.2 tm0? -65.31 -36.5 84.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.666 . . . . 2.2 110.52 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -81.35 -9.52 59.73 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.889 -0.324 . . . . 2.87 111.813 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -78.4 -51.35 10.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 3.64 109.871 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -107.56 129.89 54.93 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.739 -0.837 . . . . 0.6 108.739 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.582 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 8.3 m-20 -75.73 99.5 4.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.018 0.913 . . . . 1.77 109.547 -173.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.09 179.0 1.35 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.204 -1.816 . . . . 0.5 107.766 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.529 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 68.8 mm-40 -103.91 94.81 5.61 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.268 -0.641 . . . . 1.77 109.268 171.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.5 p -92.19 139.96 17.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.364 0.602 . . . . 1.05 110.323 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.423 ' O ' HD12 ' A' ' 80' ' ' LEU . 70.1 mtt180 -115.8 110.76 19.51 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.341 -0.845 . . . . 2.71 108.781 174.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m -81.03 133.14 29.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.025 -0.731 . . . . 0.71 109.025 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.91 121.42 21.68 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 121.04 -0.264 . . . . 2.63 111.278 -172.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 9.3 t -83.4 129.8 35.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.529 -0.545 . . . . 0.64 109.529 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.3 m -116.47 156.09 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.185 0.516 . . . . 1.34 111.384 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.3 p -125.21 -63.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.446 -0.797 . . . . 1.22 110.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.6 m -113.28 153.46 45.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.439 -0.346 . . . . 0.93 111.077 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.517 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 86.1 Cg_exo -43.36 -52.01 5.39 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.398 2.732 . . . . 0.6 113.806 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.07 -32.35 70.85 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.471 -0.331 . . . . 2.04 111.82 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.67 -44.47 86.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 2.21 110.011 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.33 -40.92 97.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.821 -0.627 . . . . 0.48 110.772 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 111' ' ' PRO . 50.1 mtpt -64.27 -34.19 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 1.53 110.497 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.437 ' HD2' ' CZ3' ' A' ' 117' ' ' TRP . 10.7 ttm180 -64.75 -42.14 95.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 4.21 110.239 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.437 ' CZ3' ' HD2' ' A' ' 116' ' ' ARG . 6.1 m95 -68.9 -34.83 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.842 -0.617 . . . . 0.99 110.748 -178.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 114' ' ' ALA . 74.6 mt -63.46 -40.1 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.849 -0.426 . . . . 0.57 109.849 175.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -63.76 -41.82 97.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 2.66 110.65 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -70.11 -19.35 63.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.315 0.579 . . . . 2.48 110.708 -178.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -91.22 -50.68 5.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.553 -0.749 . . . . 1.43 111.67 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 m -84.43 -20.28 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.74 0.305 . . . . 1.31 111.607 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 121.301 0.572 . . . . 2.53 110.527 -174.342 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.628 0.252 . . . . 2.17 110.336 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -97.38 136.24 38.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.843 -0.428 . . . . 0.82 109.843 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.42 124.96 46.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.056 0.455 . . . . 0.39 110.527 -177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CE1' HD12 ' A' ' 48' ' ' ILE . 48.7 m-85 -113.02 151.22 30.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.966 -0.561 . . . . 1.3 110.343 -176.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.533 HG13 ' HA ' ' A' ' 49' ' ' LEU . 3.9 p -133.86 113.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.795 0.807 . . . . 1.08 110.857 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 58' ' ' LEU . 6.8 mp -97.65 151.32 20.23 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.945 -1.025 . . . . 1.18 108.445 177.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.782 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 17.0 tt -151.68 119.85 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.026 -0.67 . . . . 0.55 112.754 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mp -105.63 76.78 1.22 Allowed 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 108.824 -0.806 . . . . 1.24 108.824 166.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.7 m -149.45 88.69 1.58 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.005 -0.998 . . . . 1.27 108.826 175.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -94.61 90.54 6.18 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 118.43 -1.308 . . . . 2.75 110.834 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 12.6 t70 -118.31 136.49 53.67 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.691 -1.226 . . . . 1.57 107.691 160.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 14.3 mmmm -55.97 -55.66 30.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 118.597 0.635 . . . . 2.93 111.681 -174.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -32.49 64.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.435 -0.348 . . . . 3.44 110.86 -174.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -58.18 -53.44 58.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.501 -0.555 . . . . 1.46 109.501 175.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.6 -33.95 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.124 0.488 . . . . 0.69 110.593 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 46.3 mt-10 -67.97 -51.68 44.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.764 -0.653 . . . . 2.15 110.127 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 57.5 mm-40 -60.42 -40.83 92.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.847 -0.615 . . . . 2.05 110.96 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.39 93.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.793 -0.64 . . . . 0.51 110.707 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 58.4 ttp180 -67.25 -36.85 82.46 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.475 -0.329 . . . . 2.96 110.863 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 99.7 mttt -53.85 -40.53 66.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.529 . . . . 1.88 110.39 177.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.6 mmm -75.63 -54.2 7.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.621 -0.718 . . . . 1.68 110.702 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.24 86.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.638 0.607 . . . . 0.49 112.638 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -62.28 -46.67 87.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.835 -0.802 . . . . 2.41 108.835 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.07 -29.41 68.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.528 -0.76 . . . . 3.63 110.831 176.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.43 1.66 40.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.039 -0.528 . . . . 0.66 112.03 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.09 40.01 12.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.96 0.886 . . . . 2.18 110.203 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.5 HD12 HG23 ' A' ' 118' ' ' ILE . 65.9 mt -107.31 136.0 47.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.764 -0.653 . . . . 0.59 110.126 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.411 HD12 ' CE1' ' A' ' 24' ' ' PHE . 61.9 mt -78.38 104.32 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.74 -0.467 . . . . 0.53 109.74 177.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.533 ' HA ' HG13 ' A' ' 25' ' ' VAL . 52.7 tp -84.15 121.61 27.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 1.14 110.752 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.4 mt -118.47 102.19 12.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.066 0.46 . . . . 0.94 110.067 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -85.04 110.68 19.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.041 -0.527 . . . . 1.17 111.299 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 61' ' ' ALA . 15.3 m -132.6 145.13 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.755 -0.657 . . . . 1.38 109.652 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.45 95.79 0.45 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 119.72 -1.228 . . . . 1.24 112.654 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.486 ' OD1' ' HB2' ' A' ' 56' ' ' GLU . 21.8 t70 151.1 152.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.398 1.479 . . . . 1.98 108.858 175.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.29 -43.24 95.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.984 0.421 . . . . 2.21 110.948 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 24.4 mm-40 -67.4 -39.78 85.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.035 -0.53 . . . . 2.04 110.07 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HG2' ' HB3' ' A' ' 54' ' ' ASP . 49.7 mm-40 -64.98 -32.77 74.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 2.16 110.838 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 26' ' ' LEU . 60.9 tp -60.0 -43.23 95.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.378 -0.601 . . . . 0.83 109.378 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -62.64 -22.99 66.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.821 -0.627 . . . . 2.26 111.758 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 8.4 mmpt? -84.2 -36.01 23.09 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.126 -0.488 . . . . 2.35 110.195 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -70.64 -39.26 73.76 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.585 -0.524 . . . . 0.47 109.585 174.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 58' ' ' LEU . 87.0 mt -59.33 -50.69 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.26 -0.882 . . . . 0.83 110.607 176.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -65.11 -34.73 79.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 2.76 110.742 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 68' ' ' ILE . 89.1 tttt -66.06 -45.76 80.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 2.11 110.217 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.8 84.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.38 110.587 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.706 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 14.1 t70 -58.91 -39.08 80.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.702 -0.681 . . . . 1.36 110.784 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 30.7 t70 -67.33 -48.82 66.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.582 . . . . 1.68 111.039 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 64' ' ' LYS . 75.3 mt -65.0 -32.5 58.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.239 -0.437 . . . . 0.51 110.547 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -52.2 50.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 0.53 111.193 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.529 ' HG3' ' O ' ' A' ' 66' ' ' ASP . 68.1 mttm -59.79 -27.48 66.6 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 112.468 0.544 . . . . 1.5 112.468 -175.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 67.7 mttm . . . . . 0 C--N 1.318 -0.765 0 CA-C-O 121.095 0.474 . . . . 2.71 110.026 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.539 0 N-CA-C 110.232 -0.284 . . . . 0.71 110.232 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.476 ' HG2' ' HB2' ' A' ' 102' ' ' GLU . 35.9 mtmm -118.95 143.54 46.97 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.805 -0.442 . . . . 1.67 109.805 176.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.574 ' HB ' HG23 ' A' ' 103' ' ' VAL . 74.7 mt -130.98 142.41 43.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.22 -0.446 . . . . 0.49 110.111 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -108.65 123.36 48.85 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.77 -0.826 . . . . 1.4 108.77 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.0 mt -110.41 99.89 9.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.062 0.458 . . . . 0.38 110.022 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.782 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -93.17 136.37 33.5 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.275 -1.009 . . . . 1.61 108.275 178.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -163.22 164.33 25.13 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.035 0.445 . . . . 1.17 111.683 -178.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -93.76 101.37 13.48 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.542 -1.281 . . . . 2.04 107.542 167.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.558 ' HB3' HD13 ' A' ' 83' ' ' LEU . 51.9 tttp -174.42 145.07 0.97 Allowed Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.07 -0.345 . . . . 2.02 110.07 -177.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.02 118.52 5.59 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.867 1.712 . . . . 0.85 110.157 166.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.1 m -111.44 130.71 64.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.281 0.562 . . . . 1.17 111.529 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 m -100.24 154.85 36.99 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 1.44 110.279 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 81.9 Cg_exo -47.56 -51.36 9.79 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.733 2.289 . . . . 1.14 112.796 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.49 -36.05 75.29 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.335 -0.393 . . . . 2.43 111.013 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.18 -38.94 93.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 3.78 110.543 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HB2' HG22 ' A' ' 105' ' ' VAL . 31.4 tt0 -66.3 -45.74 79.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.521 . . . . 1.46 110.29 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 28.9 mmmt -73.32 -17.86 61.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 3.25 110.182 -178.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -71.48 -45.82 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.812 -0.631 . . . . 2.44 109.969 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.16 -30.67 60.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.629 -0.714 . . . . 1.14 109.589 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -33.15 75.15 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.381 -0.827 . . . . 2.2 109.306 174.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -79.85 -28.1 40.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.222 -0.445 . . . . 2.87 110.72 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -70.06 -39.61 75.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 3.64 111.039 -177.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -119.99 138.43 53.49 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.359 -0.608 . . . . 0.6 109.359 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -77.94 96.92 5.15 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 118.827 -1.149 . . . . 1.77 108.287 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.08 149.92 0.93 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.56 -1.2 . . . . 0.5 108.945 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.476 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 63.4 mm-40 -81.05 89.58 5.95 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.031 -0.729 . . . . 1.77 109.031 173.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.574 HG23 ' HB ' ' A' ' 79' ' ' ILE . 3.5 p -90.67 144.93 8.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.708 -0.678 . . . . 1.05 110.463 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 106' ' ' ARG . 17.5 ptp180 -121.39 115.5 23.02 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.129 -0.941 . . . . 2.71 109.005 173.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 92' ' ' GLU . 14.4 m -91.48 125.69 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 109.007 -0.738 . . . . 0.71 109.007 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 104' ' ' ARG . 78.6 mmt-85 -127.98 143.16 51.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.449 . . . . 2.63 111.045 -174.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.1 t -119.56 139.12 52.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.6 -0.727 . . . . 0.64 109.93 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 m -125.38 167.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.01 0.433 . . . . 1.34 111.04 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.2 p -123.53 0.36 8.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.796 -0.638 . . . . 1.22 110.062 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.1 p -165.48 153.74 10.23 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 115.835 -0.621 . . . . 0.93 111.038 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -47.21 -49.75 12.32 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.333 2.689 . . . . 0.6 114.554 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.551 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 27.3 t70 -62.29 -30.22 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.677 0.621 . . . . 2.04 112.677 -169.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.0 -42.32 98.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.798 0.332 . . . . 2.21 110.579 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.9 86.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.48 110.391 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 8.9 mtpm? -60.87 -36.48 79.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.599 -0.728 . . . . 1.53 110.53 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -66.83 -53.06 36.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.636 . . . . 4.21 110.832 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -56.87 -39.02 73.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.897 -0.592 . . . . 0.99 111.1 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.5 HG23 HD12 ' A' ' 47' ' ' LEU . 82.4 mt -61.67 -45.35 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.57 111.1 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -67.47 -45.26 76.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.556 -0.293 . . . . 2.66 110.978 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -64.67 -27.11 68.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.943 0.401 . . . . 2.48 111.296 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -80.7 -47.87 13.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 1.43 111.197 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 p -66.09 -32.64 74.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.319 -0.4 . . . . 1.31 110.88 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 121.164 0.507 . . . . 2.53 110.789 176.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.4 ' N ' ' SD ' ' A' ' 21' ' ' MET . 1.7 pmm? . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.883 -0.414 . . . . 2.17 109.883 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 m -76.7 123.52 26.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.75 0.31 . . . . 0.82 110.6 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 mt -104.65 128.05 52.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.459 . . . . 0.39 110.631 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -117.81 147.45 43.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.112 -0.494 . . . . 1.3 110.063 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.497 HG13 ' HA ' ' A' ' 49' ' ' LEU . 3.7 p -134.6 130.4 53.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.893 0.854 . . . . 1.08 110.79 172.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 58' ' ' LEU . 11.0 mp -115.23 159.11 21.37 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.477 -1.238 . . . . 1.18 109.051 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 13.3 tt -150.76 124.68 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 121.021 -0.271 . . . . 0.55 110.35 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' A' ' 58' ' ' LEU . 5.7 tp -108.47 76.69 1.04 Allowed 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.318 -0.993 . . . . 1.24 108.318 173.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -150.95 145.66 25.74 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.375 -1.284 . . . . 1.27 108.602 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -126.39 88.19 2.79 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.433 -1.307 . . . . 2.75 110.811 168.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -119.34 129.5 54.88 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.627 -1.249 . . . . 1.57 107.627 160.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -66.21 -28.43 68.73 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 111.988 0.366 . . . . 2.93 111.988 -172.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -90.49 -35.81 14.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.871 0.367 . . . . 3.44 110.722 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.17 -46.3 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 1.46 110.03 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.36 -39.98 71.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.145 -0.48 . . . . 0.69 110.529 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 27.0 mm-40 -55.35 -62.1 1.9 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.239 -0.437 . . . . 2.15 110.939 174.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 38.2 mm-40 -57.95 -38.78 76.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 2.05 112.015 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.46 98.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.51 110.358 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 41.4 ttm180 -72.49 -27.43 62.26 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.787 -0.365 . . . . 2.96 110.627 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 69.7 mmtt -57.14 -40.93 78.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.198 0.523 . . . . 1.88 109.929 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.4 mmt -78.58 -48.5 15.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.629 -0.714 . . . . 1.68 111.068 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.26 77.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.002 0.371 . . . . 0.49 112.002 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.625 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -61.71 -51.51 68.11 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.243 -0.651 . . . . 2.41 109.243 178.659 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 1.4 mptm? -71.59 -24.05 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.723 -0.671 . . . . 3.63 111.078 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -81.79 -5.46 58.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.963 0.411 . . . . 0.66 110.743 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.2 m120 62.68 31.8 16.52 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.274 -0.875 . . . . 2.18 111.026 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 45' ' ' ALA . 62.3 mt -86.66 138.34 31.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.78 -0.645 . . . . 0.59 109.886 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.7 mt -74.36 97.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.375 -0.602 . . . . 0.53 109.375 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HA ' HG13 ' A' ' 25' ' ' VAL . 58.0 tp -86.18 125.14 33.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.702 -0.681 . . . . 1.14 110.891 -177.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mt -118.61 99.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.282 -0.636 . . . . 0.94 109.282 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 m -84.83 120.26 26.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.964 -0.562 . . . . 1.17 110.516 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.415 HG23 HD12 ' A' ' 28' ' ' LEU . 3.7 m -135.73 164.97 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.748 -0.205 . . . . 1.38 110.707 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -148.82 96.67 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.242 -0.98 . . . . 1.24 112.572 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.9 t70 143.22 153.87 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.673 1.589 . . . . 1.98 108.321 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -62.78 -44.95 94.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.891 0.376 . . . . 2.21 110.879 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 75.7 mm-40 -70.14 -28.89 65.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.028 -0.533 . . . . 2.04 109.982 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -71.16 -33.78 70.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.53 . . . . 2.16 110.679 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.533 ' HB2' HD13 ' A' ' 28' ' ' LEU . 35.9 tp -65.91 -30.55 71.16 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.383 -0.599 . . . . 0.83 109.383 174.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.22 -18.82 64.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.365 0.602 . . . . 2.26 111.126 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 26.1 mmtp -84.37 -33.86 23.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.574 -0.739 . . . . 2.35 109.594 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.78 -43.51 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.789 . . . . 0.47 110.702 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.02 -50.1 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.83 110.745 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -65.93 -30.54 71.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.46 -0.336 . . . . 2.76 110.455 179.664 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HB2' ' NZ ' ' A' ' 64' ' ' LYS . 4.2 ttmp? -67.8 -50.77 55.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 2.11 110.243 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.0 93.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.38 110.472 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.34 -46.67 76.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.661 -0.7 . . . . 1.36 110.809 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.06 -48.47 68.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.709 -0.678 . . . . 1.68 111.456 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 76.6 mt -61.99 -38.07 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.034 0.445 . . . . 0.51 110.682 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.54 -57.2 10.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.53 110.711 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -63.88 -24.88 67.91 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.234 -0.439 . . . . 1.5 111.415 -177.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 68' ' ' ILE . 59.0 tttm . . . . . 0 N--CA 1.444 -0.726 0 N-CA-C 109.355 -0.609 . . . . 2.71 109.355 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.511 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.449 -0.515 0 CA-C-O 121.037 0.446 . . . . 0.71 110.34 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . 43.4 mttp -98.42 122.6 41.81 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.109 -0.496 . . . . 1.67 110.189 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 49.0 mt -124.98 134.46 66.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.991 -0.55 . . . . 0.49 109.932 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.0 tp -113.25 112.32 23.53 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.959 -0.385 . . . . 1.4 109.959 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.555 HG22 HD22 ' A' ' 83' ' ' LEU . 81.2 mt -101.0 112.78 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.743 -0.383 . . . . 0.38 110.076 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 91.9 mt -93.15 112.07 23.9 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.879 -0.415 . . . . 1.61 109.879 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.722 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.6 pt? -138.55 139.59 38.74 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.353 -0.24 . . . . 1.17 110.353 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 7.2 pt-20 -86.32 99.62 11.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 118.916 -1.114 . . . . 2.04 108.678 170.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 89.2 mttt -170.18 146.03 2.45 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 114.104 -1.407 . . . . 2.02 108.333 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.21 118.62 5.79 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.854 1.703 . . . . 0.85 110.741 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.5 m -114.71 135.32 54.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.284 0.564 . . . . 1.17 111.904 -172.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 m -101.06 157.53 33.49 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.604 -0.726 . . . . 1.44 110.012 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -49.18 -46.55 25.29 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.488 2.125 . . . . 1.14 112.369 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 42.8 tt0 -62.19 -35.23 78.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.029 -0.532 . . . . 2.43 110.973 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.93 -40.49 95.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.964 -0.384 . . . . 3.78 109.964 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.26 -45.32 93.7 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.965 -0.561 . . . . 1.46 110.184 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 42.6 mmtm -71.84 -18.14 62.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.629 -0.714 . . . . 3.25 111.773 -176.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 30.4 mtpp -76.47 -43.32 40.28 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.976 -0.379 . . . . 2.44 109.976 174.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.16 -35.03 68.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.37 0.605 . . . . 1.14 109.522 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.431 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 39.3 tt0 -70.17 -17.19 63.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.027 -0.988 . . . . 2.2 109.66 176.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.7 -40.82 24.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 2.87 110.523 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -64.76 -42.21 95.32 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.198 -0.456 . . . . 3.64 110.679 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.08 119.37 36.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.534 -0.543 . . . . 0.6 109.534 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -72.1 103.09 3.18 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.758 0.79 . . . . 1.77 108.894 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -172.59 -167.95 0.48 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.085 -1.416 . . . . 0.5 109.303 -172.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -124.63 88.03 2.82 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.668 0.746 . . . . 1.77 109.049 172.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 7.4 p -89.85 138.29 19.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.255 -0.884 . . . . 1.05 110.445 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -104.84 100.46 10.08 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.893 -0.78 . . . . 2.71 108.893 173.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.38 124.12 32.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 119.798 -0.761 . . . . 0.71 109.21 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -125.06 135.07 52.37 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.29 -0.414 . . . . 2.63 110.964 -174.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 8.9 t -84.48 126.46 33.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.299 0.571 . . . . 0.64 110.332 177.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.58 ' O ' ' HB3' ' A' ' 84' ' ' GLU . 4.9 p -124.44 116.82 48.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.291 0.567 . . . . 1.34 111.562 -177.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.5 t -126.12 6.87 7.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.265 0.555 . . . . 1.22 110.235 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.4 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 50.7 m -154.2 135.13 8.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 0.93 110.031 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.66 -38.24 84.27 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.512 2.808 . . . . 0.6 113.479 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.423 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 38.5 m-20 -70.04 -40.72 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.642 0.258 . . . . 2.04 110.946 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 32.9 mm-40 -62.61 -40.39 96.8 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.787 -0.449 . . . . 2.21 109.787 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.403 ' HB2' ' CG2' ' A' ' 108' ' ' VAL . . . -58.24 -48.07 81.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.838 -0.619 . . . . 0.48 110.667 177.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.423 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 57.3 mtmt -61.64 -32.44 72.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 1.53 110.93 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.438 ' HD3' ' C ' ' A' ' 116' ' ' ARG . 1.9 tmt_? -68.32 -43.7 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 4.21 109.882 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -61.96 -44.02 97.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.99 110.745 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 114' ' ' ALA . 93.0 mt -61.5 -41.92 91.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.761 -0.654 . . . . 0.57 111.106 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -63.88 -43.17 96.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.486 -0.325 . . . . 2.66 110.356 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -60.81 -43.41 98.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.141 0.496 . . . . 2.48 110.82 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 78' ' ' LYS . 77.6 t80 -67.25 -44.57 79.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.581 -0.736 . . . . 1.43 111.53 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.0 m -71.03 -39.51 72.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.056 -0.52 . . . . 1.31 110.493 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 C--N 1.324 -0.527 0 CA-C-N 115.742 -0.663 . . . . 2.53 110.238 -178.712 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.861 -0.422 . . . . 2.17 109.861 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.607 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -64.78 121.95 15.76 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.814 -0.354 . . . . 0.82 110.422 177.448 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 63.5 mt -111.41 105.6 14.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.3 0.572 . . . . 0.39 110.882 -176.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 22' ' ' THR . 58.3 m-85 -103.99 143.97 32.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.657 -0.701 . . . . 1.3 109.608 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.48 HG13 ' HA ' ' A' ' 49' ' ' LEU . 2.7 p -131.57 116.58 32.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.657 0.742 . . . . 1.08 110.531 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD23 HD12 ' A' ' 58' ' ' LEU . 6.6 mp -102.92 156.92 17.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.945 -1.025 . . . . 1.18 108.424 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.8 tt -150.25 124.28 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 121.019 -0.272 . . . . 0.55 111.192 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -114.67 79.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.982 -0.747 . . . . 1.24 108.982 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 t -149.56 144.05 25.98 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.903 -1.044 . . . . 1.27 108.483 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -124.86 88.17 2.84 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.576 -1.249 . . . . 2.75 110.773 168.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.491 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 28.5 t70 -119.36 137.39 53.75 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.876 -1.056 . . . . 1.57 108.246 162.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.57 -35.33 80.14 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 111.859 0.318 . . . . 2.93 111.859 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -85.52 -44.01 13.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.682 0.277 . . . . 3.44 110.635 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 6.3 tt -55.65 -48.51 74.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.948 -0.569 . . . . 1.46 110.434 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.58 -42.62 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.69 110.869 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 43.7 mm-40 -61.37 -56.89 15.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 2.15 111.123 176.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 43.3 mm-40 -59.94 -38.17 81.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.234 -0.439 . . . . 2.05 111.53 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.95 87.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.38 . . . . 0.51 110.744 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 15.0 ttm-85 -62.42 -45.07 94.78 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.378 -0.374 . . . . 2.96 110.659 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 98.1 mttt -53.17 -36.13 60.57 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.367 0.417 . . . . 1.88 111.698 -175.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 96.5 mmm -70.1 -53.32 17.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.528 -0.305 . . . . 1.68 110.964 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.58 64.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.706 0.289 . . . . 0.49 111.237 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -63.18 -53.48 52.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.733 -0.839 . . . . 2.41 108.733 177.08 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 44' ' ' LYS . 7.8 tmtm? -66.26 -37.52 85.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.956 -1.02 . . . . 3.63 109.946 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.97 -8.37 56.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.66 111.937 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.9 m120 61.91 43.84 8.89 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.693 -0.685 . . . . 2.18 111.497 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.8 mt -95.11 -179.32 4.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.946 -0.57 . . . . 0.59 109.929 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.8 mt -106.85 96.04 4.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.635 -0.506 . . . . 0.53 109.635 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.48 ' HA ' HG13 ' A' ' 25' ' ' VAL . 51.4 tp -93.63 123.81 37.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.751 -0.659 . . . . 1.14 110.935 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.7 102.55 14.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.298 -0.631 . . . . 0.94 109.298 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -77.05 99.74 5.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.27 0.557 . . . . 1.17 110.871 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -111.43 -170.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.683 . . . . 1.38 110.833 -178.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 54' ' ' ASP . . . -159.56 103.98 0.24 Allowed Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.948 -0.644 . . . . 1.24 112.111 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' ' 53' ' ' GLY . 24.5 t70 100.22 156.41 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.097 1.359 . . . . 1.98 110.815 174.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 42.6 mt-10 -56.72 -34.86 67.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.714 0.292 . . . . 2.21 111.656 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.92 -39.71 79.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.878 0.37 . . . . 2.04 110.55 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -67.75 -30.77 70.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 2.16 110.075 175.295 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.554 HD12 HD23 ' A' ' 26' ' ' LEU . 23.2 tp -60.95 -41.54 96.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.557 -0.747 . . . . 0.83 110.417 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 33.9 mtmt -55.69 -37.79 68.79 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.767 0.794 . . . . 2.26 110.893 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 22.0 mtpp -76.75 -42.96 39.05 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.434 -1.257 . . . . 2.35 110.987 -176.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -63.47 -37.31 86.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.147 0.499 . . . . 0.47 109.879 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.689 HG23 ' HB2' ' A' ' 99' ' ' ALA . 20.3 mt -56.36 -49.74 75.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.083 -0.962 . . . . 0.83 111.634 177.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -67.55 -38.51 84.24 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.958 -0.297 . . . . 2.76 110.645 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 55.4 mtmt -64.76 -38.0 89.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.785 0.326 . . . . 2.11 110.588 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.52 69.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.005 0.431 . . . . 0.38 110.48 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -33.0 72.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.575 -0.739 . . . . 1.36 111.019 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 6.7 m-20 -67.06 -60.29 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.424 -0.353 . . . . 1.68 111.091 174.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.36 -37.83 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.22 -0.445 . . . . 0.51 111.345 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.506 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -55.58 -48.56 74.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.297 0.57 . . . . 0.53 111.355 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -86.32 -10.33 54.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.293 -0.867 . . . . 1.5 112.356 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 68.3 mttm . . . . . 0 C--N 1.315 -0.933 0 N-CA-C 109.414 -0.587 . . . . 2.71 109.414 172.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.739 0.304 . . . . 0.71 110.619 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -126.43 136.44 52.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.237 -0.438 . . . . 1.67 110.102 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.42 ' HB ' HG22 ' A' ' 103' ' ' VAL . 68.3 mt -122.09 120.62 61.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.989 -0.55 . . . . 0.49 110.197 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.547 HD22 HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -95.56 124.59 39.67 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.627 -0.879 . . . . 1.4 108.627 175.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.66 ' HB ' HG12 ' A' ' 105' ' ' VAL . 72.9 mt -116.09 101.26 11.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 120.937 0.399 . . . . 0.38 110.319 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.547 HD12 HD22 ' A' ' 80' ' ' LEU . 8.7 mp -81.57 128.14 33.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.997 -0.547 . . . . 1.61 109.827 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.2 pt? -152.59 149.78 28.82 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 110.04 -0.356 . . . . 1.17 110.04 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -104.48 101.08 10.76 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 121.987 0.899 . . . . 2.04 110.012 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HD3' HD12 ' A' ' 83' ' ' LEU . 21.6 ptmt -172.5 165.23 3.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 114.342 -1.299 . . . . 2.02 108.669 172.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.28 123.52 10.66 Favored 'Trans proline' 0 CA--C 1.516 -0.401 0 C-N-CA 122.319 2.013 . . . . 0.85 111.773 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.434 HG11 HG23 ' A' ' 105' ' ' VAL . 84.3 t -132.47 119.03 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.593 -0.731 . . . . 1.17 111.27 -176.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 p -99.89 166.36 12.92 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.434 -0.58 . . . . 1.44 109.434 173.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -46.64 -41.54 24.12 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.667 2.245 . . . . 1.14 113.322 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 31.7 tt0 -56.86 -36.07 69.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.345 -0.389 . . . . 2.43 111.078 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -69.9 -41.23 74.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.427 -0.351 . . . . 3.78 111.275 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.05 -35.52 71.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.332 0.587 . . . . 1.46 110.189 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.554 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 60.9 tttp -69.24 -34.39 74.73 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.384 -0.826 . . . . 3.25 110.155 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 62.4 mttm -63.08 -42.67 99.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.136 0.493 . . . . 2.44 109.89 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.474 ' HG ' HG11 ' A' ' 105' ' ' VAL . 3.9 mm? -72.03 -36.23 69.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.823 -0.626 . . . . 1.14 110.739 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -64.11 -25.92 68.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.954 0.407 . . . . 2.2 110.086 172.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 61.7 mtpt -74.4 -40.5 61.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 2.87 111.556 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -71.86 -51.48 22.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.864 0.364 . . . . 3.64 111.049 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.689 ' HB2' HG23 ' A' ' 62' ' ' ILE . . . -94.88 132.54 39.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.294 -0.412 . . . . 0.6 110.448 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -90.29 95.61 10.27 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 118.858 -1.137 . . . . 1.77 109.11 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.12 -177.81 0.62 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.385 -1.734 . . . . 0.5 107.67 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -87.78 91.49 8.77 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.667 -0.813 . . . . 1.77 109.417 170.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.454 HG11 ' HB3' ' A' ' 95' ' ' LEU . 7.4 t -82.27 134.25 27.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.367 -0.833 . . . . 1.05 111.308 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.477 ' O ' HD23 ' A' ' 80' ' ' LEU . 57.5 mtm180 -127.16 105.11 8.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.609 -0.723 . . . . 2.71 109.274 172.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.66 HG12 ' HB ' ' A' ' 81' ' ' ILE . 27.6 m -88.55 111.11 22.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-O 121.588 0.708 . . . . 0.71 110.2 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.637 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 6.4 mmp_? -104.33 119.22 38.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.913 -0.585 . . . . 2.63 110.411 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 6.4 t -77.13 99.4 5.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.848 0.832 . . . . 0.64 109.948 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -94.41 145.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.71 -0.677 . . . . 1.34 110.605 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -127.85 -9.86 5.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.002 -0.545 . . . . 1.22 111.516 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -155.31 154.87 29.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 119.572 -0.252 . . . . 0.93 110.917 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 80.3 Cg_exo -45.78 -51.52 8.13 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.208 2.605 . . . . 0.6 113.344 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.94 -30.15 68.87 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.436 -0.347 . . . . 2.04 111.677 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -69.54 -41.26 76.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.916 0.388 . . . . 2.21 109.977 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.52 -46.19 91.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 0.48 110.505 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 46.6 mtpt -65.27 -30.73 71.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.584 -0.734 . . . . 1.53 110.923 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.449 ' NH2' ' HD3' ' A' ' 119' ' ' LYS . 6.6 tpm_? -60.65 -49.16 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 4.21 110.841 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -77.48 -38.06 49.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.968 -0.56 . . . . 0.99 111.651 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.12 -29.49 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.032 0.444 . . . . 0.57 110.657 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HD3' ' NH2' ' A' ' 116' ' ' ARG . 63.5 tttp -67.73 -52.56 36.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 2.66 111.106 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -19.26 63.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 2.48 111.02 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 34.3 t80 -71.5 -35.57 70.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.138 -0.483 . . . . 1.43 110.592 177.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 p -96.25 -9.09 31.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.876 -0.602 . . . . 1.31 111.025 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.138 -0.483 . . . . 2.53 110.817 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.56 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 53.1 ttp . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.272 -0.27 . . . . 2.17 110.272 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 m -102.96 139.64 38.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.811 0.339 . . . . 0.82 110.211 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.444 ' HB2' HD22 ' A' ' 47' ' ' LEU . 75.6 mt -109.44 125.23 52.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.093 -0.503 . . . . 0.39 110.448 -177.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 54.7 m-85 -115.81 147.51 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.194 -0.457 . . . . 1.3 110.461 -178.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 t -132.84 117.67 30.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.332 -0.395 . . . . 1.08 110.168 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.32 159.75 14.74 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.532 -1.285 . . . . 1.18 107.532 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.714 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 15.9 tt -150.32 122.95 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.07 -0.652 . . . . 0.55 111.828 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 58' ' ' LEU . 2.5 mp -110.41 80.08 1.27 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.666 -0.864 . . . . 1.24 108.666 167.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 67.1 m -149.22 144.41 26.53 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.263 -1.335 . . . . 1.27 108.805 175.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -144.75 90.41 2.07 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 118.732 -1.187 . . . . 2.75 112.335 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.573 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 9.6 t70 -118.06 142.44 47.39 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.721 -1.585 . . . . 1.57 106.721 155.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 13.4 mptt -58.59 -46.74 86.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 119.116 0.871 . . . . 2.93 110.871 -175.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -70.11 -42.51 72.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 3.44 110.33 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 46.2 tp -52.0 -52.0 53.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.405 -0.816 . . . . 1.46 111.152 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.26 -35.5 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.908 -0.587 . . . . 0.69 110.93 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 49.1 mt-10 -61.38 -62.44 1.83 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.575 -0.284 . . . . 2.15 110.304 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.456 ' HB3' ' HD3' ' A' ' 115' ' ' LYS . 44.7 mt-10 -57.97 -33.07 68.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 2.05 111.192 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.57 -55.64 14.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 0.51 110.957 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 41.5 ttm180 -65.75 -41.43 92.16 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.629 -0.428 . . . . 2.96 111.009 -177.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 66.2 mttm -48.48 -40.26 25.87 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.211 0.319 . . . . 1.88 111.65 -177.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.544 ' SD ' ' HD3' ' A' ' 119' ' ' LYS . 16.8 mmt -70.32 -47.76 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.331 -0.395 . . . . 1.68 111.065 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -71.22 -26.98 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.028 0.442 . . . . 0.49 110.908 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.71 -40.51 88.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.913 0.863 . . . . 2.41 109.032 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -78.63 -34.85 46.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.433 -1.258 . . . . 3.63 110.828 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB1' ' OG ' ' A' ' 122' ' ' SER . . . -83.5 -5.33 59.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.713 -0.676 . . . . 0.66 111.769 -176.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 61.42 46.79 7.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.514 -0.766 . . . . 2.18 111.296 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 35.0 mt -101.3 155.21 18.17 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.711 -0.478 . . . . 0.59 109.711 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.6 mt -86.45 89.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.483 0.658 . . . . 0.53 109.886 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 48.7 tp -95.15 120.91 36.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.016 -0.993 . . . . 1.14 110.271 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.9 mt -111.03 103.37 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.628 -0.508 . . . . 0.94 109.628 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.434 ' HA ' ' CG2' ' A' ' 27' ' ' ILE . 3.3 m -83.0 108.95 16.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 1.17 110.64 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -123.24 -177.38 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.388 -0.597 . . . . 1.38 109.388 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -163.09 93.26 0.11 Allowed Glycine 0 N--CA 1.44 -1.059 0 C-N-CA 120.122 -1.037 . . . . 1.24 111.972 171.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 32.5 t70 164.83 150.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 124.245 1.018 . . . . 1.98 108.592 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -65.14 -42.34 93.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.191 0.441 . . . . 2.21 112.191 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 28.8 mm-40 -80.86 -39.2 26.87 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.157 -0.474 . . . . 2.04 110.11 -176.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 54' ' ' ASP . 41.3 tt0 -59.89 -34.08 72.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 2.16 110.643 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 28' ' ' LEU . 63.4 tp -59.54 -42.11 91.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.83 110.371 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -66.26 -20.06 66.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.604 . . . . 2.26 110.919 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 5.5 mmmm -86.58 -47.05 9.56 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.321 -0.854 . . . . 2.35 109.95 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.42 99.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.482 -0.781 . . . . 0.47 110.456 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.6 mt -58.4 -45.53 89.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.405 -0.816 . . . . 0.83 111.082 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -67.77 -32.29 72.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 2.76 110.414 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.606 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.7 tttp -61.39 -48.7 80.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 2.11 110.019 173.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.27 92.17 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.073 -0.512 . . . . 0.38 110.542 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -54.74 -49.46 70.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.315 -0.857 . . . . 1.36 110.505 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 29.7 t70 -63.6 -48.18 78.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.521 -0.763 . . . . 1.68 111.658 -178.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 64' ' ' LYS . 82.8 mt -53.3 -49.23 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.911 0.386 . . . . 0.51 111.526 -175.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -75.53 -48.7 21.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.53 111.663 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -61.03 -28.81 69.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.766 0.654 . . . . 1.5 112.766 -170.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 64.0 mtpt . . . . . 0 C--N 1.32 -0.691 0 C-N-CA 120.612 -0.435 . . . . 2.71 110.468 178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.83 -0.433 . . . . 0.71 109.83 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.56 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 54.7 mtmt -124.66 136.79 54.21 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.894 -0.41 . . . . 1.67 109.894 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.1 mt -133.18 136.61 54.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.074 -0.512 . . . . 0.49 111.096 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.5 mt -105.87 142.2 35.99 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 109.9 -0.407 . . . . 1.4 109.9 171.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.438 HD13 HG12 ' A' ' 105' ' ' VAL . 4.5 mp -114.59 97.72 6.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.2 -1.037 . . . . 0.38 108.2 163.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.714 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.2 tm? -75.77 111.02 10.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.865 -1.061 . . . . 1.61 108.834 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.8 158.13 43.91 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.84 -0.537 . . . . 1.17 111.959 -175.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.65 101.77 11.39 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.125 -1.065 . . . . 2.04 108.125 173.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -175.81 148.38 0.97 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.821 -1.081 . . . . 2.02 108.527 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -67.27 118.76 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.703 1.602 . . . . 0.85 110.68 170.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.43 138.94 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.146 0.498 . . . . 1.17 111.626 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -100.89 150.28 36.9 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.874 -0.603 . . . . 1.44 110.203 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.29 -45.57 33.18 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.399 2.066 . . . . 1.14 112.362 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -60.42 -40.57 91.49 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.183 -0.462 . . . . 2.43 110.232 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -60.81 -36.62 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 3.78 110.896 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.7 -32.76 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.08 0.467 . . . . 1.46 111.126 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -73.69 -21.94 60.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.379 -0.601 . . . . 3.25 109.379 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -68.1 -33.6 74.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.878 -0.601 . . . . 2.44 110.138 174.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.423 ' CB ' HG11 ' A' ' 103' ' ' VAL . 3.3 mm? -75.27 -33.84 61.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.941 -0.392 . . . . 1.14 109.941 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.461 ' HG2' ' H ' ' A' ' 103' ' ' VAL . 60.9 mt-30 -66.09 -25.45 67.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.441 0.639 . . . . 2.2 109.51 171.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -76.15 -29.42 57.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 2.87 111.118 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -73.48 -50.53 21.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.851 0.358 . . . . 3.64 110.957 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.32 129.36 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.058 -0.519 . . . . 0.6 110.126 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -83.66 101.43 11.51 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.754 -0.832 . . . . 1.77 108.754 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -175.62 -169.62 0.36 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.148 -1.387 . . . . 0.5 107.278 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -97.33 88.98 4.58 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 119.56 -0.856 . . . . 1.77 108.919 171.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.461 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -84.42 123.85 39.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.77 -1.105 . . . . 1.05 110.639 -178.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -120.61 108.79 14.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.462 -0.79 . . . . 2.71 109.087 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.438 HG12 HD13 ' A' ' 81' ' ' ILE . 28.3 m -81.1 133.85 28.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-O 120.987 0.422 . . . . 0.71 109.916 -178.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.515 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 11.9 mmm180 -113.89 112.79 23.92 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.868 -0.333 . . . . 2.63 110.157 -175.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.3 t -84.14 134.78 34.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.119 -0.491 . . . . 0.64 109.961 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.44 157.01 42.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.208 0.527 . . . . 1.34 111.396 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.7 p -128.4 -13.06 4.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.355 -0.838 . . . . 1.22 110.37 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 56.4 m -153.72 148.25 19.4 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.014 -0.539 . . . . 0.93 110.22 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.567 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 74.9 Cg_exo -52.8 -29.59 43.39 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 124.389 3.393 . . . . 0.6 114.27 -173.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.518 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 6.2 m-20 -63.82 -42.82 97.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.442 -0.344 . . . . 2.04 111.309 -176.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 13.4 mm-40 -77.38 -30.29 53.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.441 -0.345 . . . . 2.21 110.163 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.27 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.48 110.587 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 64.5 pttt -67.92 -26.79 66.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.035 -0.53 . . . . 1.53 110.307 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 113' ' ' GLU . 72.9 ttt180 -60.42 -57.45 12.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.669 -0.696 . . . . 4.21 111.417 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.515 ' CD1' ' HB3' ' A' ' 106' ' ' ARG . 9.3 m95 -57.78 -38.56 75.66 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.449 -0.341 . . . . 0.99 111.194 -174.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.69 -42.63 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.57 111.643 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.544 ' HD3' ' SD ' ' A' ' 41' ' ' MET . 9.3 mtmp? -70.42 -42.74 71.2 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.97 -0.292 . . . . 2.66 111.169 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -67.9 -28.96 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.735 0.303 . . . . 2.48 110.669 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -74.97 -30.96 61.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.86 -0.609 . . . . 1.43 110.891 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.479 ' OG ' ' HB1' ' A' ' 45' ' ' ALA . 33.6 t -79.32 -38.51 35.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.978 -0.555 . . . . 1.31 110.386 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 116.182 -0.463 . . . . 2.53 110.321 -178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.22 -0.289 . . . . 2.17 110.22 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 m -89.12 138.92 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.987 -0.285 . . . . 0.82 110.27 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 58.2 mt -108.63 112.22 24.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.271 -0.422 . . . . 0.39 110.398 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.412 ' HB2' HG12 ' A' ' 79' ' ' ILE . 48.9 m-85 -105.88 148.75 27.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 1.3 109.532 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -137.19 132.84 46.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-O 121.635 0.731 . . . . 1.08 110.988 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 HD12 ' A' ' 58' ' ' LEU . 9.4 mp -116.53 158.6 23.39 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.734 -1.121 . . . . 1.18 109.106 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.4 tt -150.54 111.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.466 -0.333 . . . . 0.55 110.233 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.592 HD13 ' HB2' ' A' ' 58' ' ' LEU . 10.2 tp -98.88 78.31 2.29 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.828 0.823 . . . . 1.24 109.028 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -150.71 144.87 25.44 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.639 -1.164 . . . . 1.27 108.193 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.45 ' HA ' HD11 ' A' ' 35' ' ' ILE . 18.3 m120 -121.7 86.08 2.52 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 117.975 -1.49 . . . . 2.75 110.19 166.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 21.2 t70 -120.84 130.25 53.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.639 -1.164 . . . . 1.57 108.694 164.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 46.4 mttp -62.42 -29.64 70.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.604 0.594 . . . . 2.93 112.604 -176.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -84.53 -47.43 10.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.916 0.389 . . . . 3.44 110.66 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.587 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 18.0 tp -57.72 -50.04 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 1.46 111.478 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.45 HD11 ' HA ' ' A' ' 30' ' ' ASN . 63.6 mt -59.54 -39.86 80.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.363 -0.38 . . . . 0.69 111.327 -176.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 47.8 mm-40 -58.4 -56.92 15.9 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.969 -0.292 . . . . 2.15 110.996 177.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -62.09 -40.62 96.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.766 0.317 . . . . 2.05 111.125 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.74 94.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.51 110.686 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -67.27 -48.8 66.63 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 120.509 -0.476 . . . . 2.96 110.875 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 94.8 mttt -48.93 -47.87 43.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.152 0.501 . . . . 1.88 110.955 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 tpt -62.28 -43.05 99.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.535 -0.757 . . . . 1.68 111.958 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -85.66 -29.73 23.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.49 111.502 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.46 -44.86 95.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.946 -0.57 . . . . 2.41 109.976 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -11.47 57.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.846 -0.615 . . . . 3.63 111.343 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.38 2.06 54.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.936 0.398 . . . . 0.66 110.538 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.6 40.18 20.49 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.287 -0.87 . . . . 2.18 110.759 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.408 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 21.8 mt -95.98 156.68 16.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.932 -0.576 . . . . 0.59 109.662 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.9 mt -90.29 92.82 4.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.338 0.589 . . . . 0.53 109.512 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.1 tp -91.25 128.88 37.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 1.14 110.762 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.76 98.91 6.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.234 -0.654 . . . . 0.94 109.234 175.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -80.17 119.83 23.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.029 -0.532 . . . . 1.17 110.455 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.473 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 3.4 m -135.38 140.26 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.325 -0.398 . . . . 1.38 110.536 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -129.54 95.38 0.36 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 119.76 -1.21 . . . . 1.24 112.392 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 17.1 t70 152.83 145.63 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.121 1.368 . . . . 1.98 108.42 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -49.52 66.31 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.05 0.452 . . . . 2.21 111.493 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 11.4 mm-40 -67.77 -33.83 75.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.839 -0.619 . . . . 2.04 110.712 -175.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 22.7 mm-40 -64.21 -30.84 71.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 2.16 111.732 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.592 ' HB2' HD13 ' A' ' 28' ' ' LEU . 33.9 tp -63.61 -39.06 93.4 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.479 -0.563 . . . . 0.83 109.479 176.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -60.48 -30.44 69.69 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.445 0.641 . . . . 2.26 110.616 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 6.1 mmmm -76.66 -44.93 31.85 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.953 -1.021 . . . . 2.35 110.458 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.95 96.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 0.47 110.217 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -58.06 -47.85 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.37 -0.832 . . . . 0.83 110.805 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -71.32 -32.34 68.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.484 -0.326 . . . . 2.76 111.075 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -64.17 -44.78 91.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 2.11 109.979 176.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.41 99.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.38 110.232 175.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.76 -40.96 69.9 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.407 -0.815 . . . . 1.36 110.901 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.55 -49.91 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 1.68 111.457 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.54 -39.14 81.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.788 0.327 . . . . 0.51 111.003 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.6 -58.08 10.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.53 110.821 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -63.89 -31.9 73.24 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.21 -0.45 . . . . 1.5 111.419 -177.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.3 tttp . . . . . 0 C--N 1.321 -0.631 0 CA-C-N 115.908 -0.587 . . . . 2.71 110.264 177.177 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 N-CA-C 109.999 -0.371 . . . . 0.71 109.999 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -118.94 122.1 41.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.991 0.424 . . . . 1.67 109.87 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 46.2 mt -119.31 140.3 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.847 -0.615 . . . . 0.49 110.362 -176.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.04 115.24 28.04 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.858 -0.793 . . . . 1.4 108.858 173.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.1 mt -104.1 105.74 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.072 0.463 . . . . 0.38 110.883 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 106' ' ' ARG . 73.3 mt -88.37 143.48 26.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.015 -0.735 . . . . 1.61 109.015 173.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -167.28 166.81 14.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.377 -0.231 . . . . 1.17 110.377 177.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 29.0 mt-10 -102.75 102.19 12.33 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.2 -1.037 . . . . 2.04 108.2 169.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -174.6 132.24 0.49 Allowed Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.156 -0.475 . . . . 2.02 110.125 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.35 117.7 4.72 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.562 1.508 . . . . 0.85 109.852 168.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.6 m -121.15 128.07 75.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.189 0.519 . . . . 1.17 112.165 -173.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 m -91.92 156.93 42.05 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.837 -0.619 . . . . 1.44 109.529 174.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -45.55 -41.41 18.55 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.118 2.545 . . . . 1.14 113.787 -176.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 42.3 mt-10 -62.71 -32.9 74.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.441 -0.345 . . . . 2.43 111.697 -178.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -69.04 -30.65 69.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 3.78 110.709 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -68.02 -38.7 82.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.393 -0.595 . . . . 1.46 109.393 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -73.39 -27.05 61.26 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.525 -0.761 . . . . 3.25 110.672 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 30.3 mtpp -62.34 -51.29 68.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.077 0.465 . . . . 2.44 109.79 174.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.8 mt -69.71 -36.09 75.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.623 . . . . 1.14 110.343 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -66.09 -24.58 66.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.698 -0.683 . . . . 2.2 110.046 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -80.38 -29.01 37.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.249 -0.432 . . . . 2.87 111.365 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.89 -46.35 45.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 3.64 110.838 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.06 133.87 51.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.095 -0.502 . . . . 0.6 109.964 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.53 101.64 5.73 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.61 -0.885 . . . . 1.77 108.61 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.67 -177.31 0.96 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.259 -1.337 . . . . 0.5 108.568 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 5.2 pt-20 -115.6 89.66 3.15 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.751 0.786 . . . . 1.77 109.239 169.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 9.9 p -86.33 144.82 8.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.718 -0.674 . . . . 1.05 110.713 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.34 116.0 27.54 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.361 -0.977 . . . . 2.71 108.361 170.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.5 m -87.47 134.35 27.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 120.42 -0.512 . . . . 0.71 109.738 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.581 ' HB2' HD23 ' A' ' 82' ' ' LEU . 29.8 mmt180 -132.49 137.74 47.31 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.302 -0.259 . . . . 2.63 110.302 -178.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 10.0 t -91.01 128.96 37.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.211 0.529 . . . . 0.64 109.843 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 13.2 m -117.83 107.76 22.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.66 0.743 . . . . 1.34 110.931 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.8 p -105.01 1.88 29.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.692 -0.685 . . . . 1.22 110.717 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.6 m -154.22 152.26 26.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.829 -0.623 . . . . 0.93 109.928 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 78.5 Cg_exo -51.78 -45.51 37.8 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.638 2.226 . . . . 0.6 112.726 -178.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.453 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 8.9 m-20 -60.84 -32.34 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.675 -0.693 . . . . 2.04 111.811 -175.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -56.7 -44.02 81.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.391 . . . . 2.21 110.742 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.92 -58.11 8.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.532 -0.758 . . . . 0.48 111.731 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 65.6 pttt -64.59 -28.68 69.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 1.53 111.281 -174.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -62.8 -49.75 73.72 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.117 -0.492 . . . . 4.21 110.699 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -63.46 -42.77 98.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.171 -0.468 . . . . 0.99 110.439 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.6 mt -56.82 -38.61 59.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.806 -0.634 . . . . 0.57 111.337 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -59.16 -45.21 91.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 2.66 111.133 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -80.89 -18.5 47.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.17 -0.468 . . . . 2.48 111.248 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 80.7 t80 -81.11 -42.2 21.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.946 -0.57 . . . . 1.43 111.169 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.5 p -77.12 -43.79 32.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.539 -0.301 . . . . 1.31 111.07 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.327 -0.375 0 CA-C-O 120.68 0.276 . . . . 2.53 110.501 177.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 pmm? . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.598 0.237 . . . . 2.17 110.71 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 13.2 m -95.62 143.38 26.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.688 -0.486 . . . . 0.82 109.688 172.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.37 114.23 28.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.019 0.438 . . . . 0.39 110.743 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 65.6 m-85 -109.77 136.71 48.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.925 -0.58 . . . . 1.3 109.826 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.61 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 91.2 t -117.96 128.63 75.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.452 0.644 . . . . 1.08 110.334 176.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.518 HD23 HD12 ' A' ' 58' ' ' LEU . 11.2 mp -114.01 151.77 31.93 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.489 -0.93 . . . . 1.18 108.489 173.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.7 tt -143.0 117.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 109.82 -0.437 . . . . 0.55 109.82 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 58' ' ' LEU . 7.8 tp -111.56 79.72 1.24 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.809 0.814 . . . . 1.24 109.462 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -149.37 144.13 26.21 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 107.442 -1.318 . . . . 1.27 107.442 171.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -113.8 84.94 2.11 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 117.622 -1.631 . . . . 2.75 110.046 169.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.646 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 9.2 t70 -121.53 129.26 52.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.681 -1.6 . . . . 1.57 107.924 166.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -65.53 -29.81 70.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.345 0.498 . . . . 2.93 112.345 -171.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -89.08 -42.93 11.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.872 0.368 . . . . 3.44 110.3 -176.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 16.3 tp -56.58 -48.19 77.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 1.46 110.934 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.6 mt -58.84 -38.25 71.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 116.04 -0.527 . . . . 0.69 111.263 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.6 mm-40 -67.01 -60.0 3.0 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.826 -0.35 . . . . 2.15 111.301 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 32.8 mm-40 -59.46 -31.74 69.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.868 0.322 . . . . 2.05 111.868 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.03 79.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.376 . . . . 0.51 110.405 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.528 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 32.9 ttm180 -76.89 -26.44 54.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.453 -0.34 . . . . 2.96 110.907 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 70.0 mmtt -54.17 -47.72 71.69 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.472 0.653 . . . . 1.88 109.395 173.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.5 mmm -71.36 -47.9 53.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.094 -0.957 . . . . 1.68 110.856 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.06 -42.65 89.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.702 0.63 . . . . 0.49 112.702 -174.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 5.4 mm-40 -57.39 -41.52 80.44 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.984 0.421 . . . . 2.41 110.411 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 1.5 mptm? -77.69 -29.01 51.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.735 -0.666 . . . . 3.63 111.118 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.74 5.3 25.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.445 -0.343 . . . . 0.66 111.755 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 61.44 33.25 18.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.969 -0.559 . . . . 2.18 110.598 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' A' ' 118' ' ' ILE . 90.5 mt -100.79 132.04 46.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.039 -0.528 . . . . 0.59 110.372 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -79.95 93.73 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.347 -0.612 . . . . 0.53 109.347 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.61 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -99.14 124.91 44.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.008 -0.542 . . . . 1.14 110.466 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 50' ' ' ILE . 4.5 mp -107.8 109.12 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.943 -0.572 . . . . 0.94 109.734 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.88 116.16 17.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.067 -0.515 . . . . 1.17 111.535 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.405 HG23 HD12 ' A' ' 28' ' ' LEU . 3.4 m -136.45 142.08 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 1.38 110.23 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.588 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -135.21 93.44 0.24 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 119.539 -1.315 . . . . 1.24 111.656 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.588 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 16.2 t70 151.63 139.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.854 1.262 . . . . 1.98 107.652 -176.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 55' ' ' GLU . 1.8 mp0 -63.67 -23.92 67.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.669 0.271 . . . . 2.21 111.062 -175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.504 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 10.1 mm-40 -84.33 -33.43 23.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.513 -0.312 . . . . 2.04 110.873 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.63 -32.12 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.833 -0.347 . . . . 2.16 110.264 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.518 HD12 HD23 ' A' ' 26' ' ' LEU . 28.4 tp -63.69 -36.16 82.92 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.946 -0.391 . . . . 0.83 109.946 176.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.504 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 34.5 mmtm -58.93 -30.46 67.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.528 0.68 . . . . 2.26 110.481 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.2 mmmt -84.97 -40.31 17.08 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.054 -0.975 . . . . 2.35 110.569 -175.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.92 85.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.873 -0.603 . . . . 0.47 110.841 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 58' ' ' LEU . 83.2 mt -57.81 -50.67 76.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.83 111.114 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.35 -31.77 71.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 2.76 110.665 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.5 tttp -64.49 -46.59 82.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 2.11 109.911 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.64 86.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.799 -0.637 . . . . 0.38 110.612 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.663 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 8.6 t70 -56.48 -54.14 49.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.591 -0.731 . . . . 1.36 110.404 176.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 6.9 m-20 -59.84 -48.27 82.35 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.971 -0.559 . . . . 1.68 111.934 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LYS . 76.5 mt -58.96 -36.6 62.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 120.901 0.382 . . . . 0.51 111.074 -176.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -66.43 -44.33 83.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.53 111.538 -178.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 29.6 mmtp -70.47 -31.44 68.57 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 116.302 -0.408 . . . . 1.5 111.549 -172.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 30.3 mtpp . . . . . 0 C--N 1.324 -0.535 0 O-C-N 123.57 0.544 . . . . 2.71 110.418 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 120.968 0.414 . . . . 0.71 110.757 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HE3' ' NH2' ' A' ' 104' ' ' ARG . 39.4 mttp -111.8 122.4 47.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.936 -0.575 . . . . 1.67 109.818 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.478 ' HB ' HG23 ' A' ' 103' ' ' VAL . 55.9 mt -124.25 128.86 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.302 -0.408 . . . . 0.49 110.124 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 tp -111.76 115.29 28.83 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.865 -0.42 . . . . 1.4 109.865 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.0 mt -102.19 99.85 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.101 -0.24 . . . . 0.38 110.649 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.641 HD23 ' HB3' ' A' ' 106' ' ' ARG . 46.5 mt -90.7 99.18 12.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.956 0.408 . . . . 1.61 110.133 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.9 OUTLIER -120.69 165.23 15.36 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 122.305 -0.247 . . . . 1.17 110.433 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.19 100.74 10.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.981 -1.118 . . . . 2.04 107.981 171.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -175.42 137.81 0.54 Allowed Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 114.896 -1.047 . . . . 2.02 109.26 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.21 119.31 6.33 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 121.776 1.651 . . . . 0.85 110.024 168.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.4 m -124.25 145.24 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.572 0.701 . . . . 1.17 112.485 -172.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.0 t -100.51 144.58 28.75 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 114.999 -1.0 . . . . 1.44 109.252 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.08 -17.26 30.72 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.473 2.782 . . . . 1.14 112.731 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 13.8 tp10 -64.68 -44.7 89.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.979 0.418 . . . . 2.43 110.211 174.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -71.2 -28.08 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 3.78 110.196 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.31 -42.9 99.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.848 -0.615 . . . . 1.46 109.667 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.07 -29.94 69.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.73 -0.668 . . . . 3.25 110.503 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 57.0 mttm -70.72 -43.74 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.373 -0.376 . . . . 2.44 110.219 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.7 mt -72.87 -34.9 67.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.048 0.451 . . . . 1.14 110.344 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.436 HE21 ' HB3' ' A' ' 96' ' ' GLN . 1.0 OUTLIER -66.37 -27.06 67.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.79 -0.641 . . . . 2.2 109.551 176.249 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -80.17 -21.19 43.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.919 -0.582 . . . . 2.87 111.137 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -74.83 -42.71 57.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 3.64 110.414 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.35 132.99 56.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.927 -0.579 . . . . 0.6 109.907 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.89 101.55 5.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.969 -0.752 . . . . 1.77 108.969 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.5 -170.15 0.4 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.18 -1.373 . . . . 0.5 108.53 -175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 4.7 pt-20 -116.35 89.08 3.03 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.776 0.798 . . . . 1.77 109.193 167.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.478 HG23 ' HB ' ' A' ' 79' ' ' ILE . 5.3 p -82.43 136.87 22.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.486 0.66 . . . . 1.05 109.802 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.498 ' NH2' ' HE3' ' A' ' 78' ' ' LYS . 97.2 mtt180 -114.79 99.78 7.75 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.454 -0.943 . . . . 2.71 108.454 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 m -72.94 136.68 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.135 -0.691 . . . . 0.71 109.135 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.641 ' HB3' HD23 ' A' ' 82' ' ' LEU . 15.1 tpp180 -138.94 127.78 23.53 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.788 0.328 . . . . 2.63 110.716 -174.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 15.1 t -90.47 126.36 35.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.193 0.52 . . . . 0.64 110.054 177.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.6 m -114.73 143.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.159 -0.473 . . . . 1.34 110.415 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -107.53 -39.66 5.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.097 -0.502 . . . . 1.22 111.768 -178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.0 m -134.4 160.55 68.06 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 119.416 -0.326 . . . . 0.93 110.624 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.451 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 81.1 Cg_exo -47.66 -46.65 20.37 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.873 2.382 . . . . 0.6 113.237 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.03 -29.59 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 2.04 111.706 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 28.5 mm-40 -63.64 -40.18 96.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.72 0.295 . . . . 2.21 110.518 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.93 81.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.856 -0.424 . . . . 0.48 109.856 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -57.29 -42.66 82.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.646 -0.706 . . . . 1.53 110.349 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 113' ' ' GLU . 54.9 ttt180 -51.13 -56.23 13.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.107 -0.951 . . . . 4.21 111.53 175.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -71.77 -34.65 69.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.99 111.492 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.412 HG23 ' CD1' ' A' ' 47' ' ' LEU . 57.3 mt -58.15 -49.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.519 -0.309 . . . . 0.57 111.427 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.3 -40.4 93.74 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.921 -0.312 . . . . 2.66 110.841 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.09 -30.16 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 2.48 111.125 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -75.74 -33.36 60.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.211 -0.45 . . . . 1.43 110.161 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 m -68.28 -43.38 77.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.687 -0.688 . . . . 1.31 110.235 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 C--N 1.325 -0.488 0 CA-C-N 116.046 -0.525 . . . . 2.53 110.012 177.565 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.006 -0.368 . . . . 2.17 110.006 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 m -98.57 130.49 45.12 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.256 -0.578 . . . . 0.82 110.148 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -105.3 130.07 53.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.289 -0.414 . . . . 0.39 110.25 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.741 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 61.1 m-85 -117.83 152.15 35.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.151 -0.477 . . . . 1.3 110.99 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.42 124.37 48.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 121.766 0.793 . . . . 1.08 110.196 171.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 58' ' ' LEU . 8.5 mp -105.67 152.8 22.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.659 -1.155 . . . . 1.18 109.041 175.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 5.6 tp -139.57 108.88 3.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 109.759 -0.46 . . . . 0.55 109.759 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.492 HD12 HG13 ' A' ' 52' ' ' VAL . 7.4 tp -97.21 76.44 2.63 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 119.294 -0.963 . . . . 1.24 108.606 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -149.58 141.78 24.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.813 -1.539 . . . . 1.27 108.223 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -114.09 84.75 2.09 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 117.538 -1.665 . . . . 2.75 109.928 166.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 14.3 t70 -122.1 118.79 29.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.284 -1.326 . . . . 1.57 107.996 164.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 45.6 mtmt -65.4 -24.37 67.2 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 111.808 0.299 . . . . 2.93 111.808 -174.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HD3' ' H ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.75 -39.13 20.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.46 . . . . 3.44 109.981 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 14.8 tp -64.81 -51.63 61.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 1.46 111.016 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.7 mt -51.81 -36.69 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 O-C-N 123.787 0.679 . . . . 0.69 110.743 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 15.6 mm-40 -59.46 -56.97 15.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.999 -0.546 . . . . 2.15 111.284 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 38.3 mt-10 -73.37 -30.19 63.14 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.804 -0.358 . . . . 2.05 111.34 -175.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.2 86.75 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.103 -0.703 . . . . 0.51 109.103 173.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.8 ttm-85 -71.09 -46.18 62.29 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.479 -0.782 . . . . 2.96 110.236 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 24.7 mmtp -55.6 -46.21 77.33 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.977 0.418 . . . . 1.88 110.377 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.1 tpt -66.06 -44.92 83.13 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.741 -0.663 . . . . 1.68 110.992 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.27 -27.64 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.49 111.396 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.5 tm-20 -63.59 -44.06 95.12 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.496 -0.927 . . . . 2.41 108.496 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 93.1 mttt -72.84 -24.01 60.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.728 -1.124 . . . . 3.63 111.133 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.66 -1.99 58.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.66 111.548 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.5 m120 62.31 35.35 15.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.864 -0.607 . . . . 2.18 111.495 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.413 HD12 HG23 ' A' ' 118' ' ' ILE . 69.8 mt -96.63 148.61 22.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.643 -0.708 . . . . 0.59 110.246 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' CD1' ' A' ' 24' ' ' PHE . 4.9 mm -79.66 107.58 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.342 -0.614 . . . . 0.53 109.342 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 39' ' ' ARG . 39.8 tp -90.91 129.63 36.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.867 0.365 . . . . 1.14 111.073 -178.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.42 107.95 22.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.94 109.706 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 p -81.93 126.53 32.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.671 -0.695 . . . . 1.17 110.184 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.492 HG13 HD12 ' A' ' 28' ' ' LEU . 4.1 p -153.45 141.0 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.572 -0.285 . . . . 1.38 110.692 -175.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -140.19 96.38 0.21 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.195 -1.003 . . . . 1.24 112.465 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.51 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.7 t70 152.25 141.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.435 1.494 . . . . 1.98 107.358 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -71.17 -28.73 64.46 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.829 0.347 . . . . 2.21 111.322 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.1 mm-40 -80.61 -32.59 36.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.981 -0.748 . . . . 2.04 108.981 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.443 ' CG ' ' HB3' ' A' ' 54' ' ' ASP . 19.5 mm-40 -71.55 -24.94 62.03 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.535 -0.757 . . . . 2.16 110.653 176.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.545 ' CD1' HD23 ' A' ' 26' ' ' LEU . 52.6 tp -65.55 -34.63 78.71 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.427 -0.582 . . . . 0.83 109.427 174.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 59.6 mttm -60.36 -27.26 67.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.581 0.705 . . . . 2.26 110.273 174.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -88.7 -38.0 15.09 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.049 -0.978 . . . . 2.35 110.712 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.67 91.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.391 . . . . 0.47 110.835 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.28 -46.79 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.03 -0.532 . . . . 0.83 110.581 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -66.76 -34.98 79.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.397 . . . . 2.76 110.599 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' HG13 ' A' ' 68' ' ' ILE . 87.0 tttt -57.49 -44.09 84.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 2.11 110.353 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.77 -41.5 71.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.619 . . . . 0.38 110.971 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -52.84 -46.97 68.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.807 -0.633 . . . . 1.36 111.068 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.31 -40.84 90.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 1.68 111.616 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 64' ' ' LYS . 82.3 mt -61.82 -43.23 97.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.081 0.467 . . . . 0.51 110.456 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.741 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -73.84 -57.51 3.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.53 112.095 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -69.02 -29.03 67.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.393 -0.822 . . . . 1.5 112.629 -163.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.6 tptp . . . . . 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 2.71 110.903 -179.47 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.48 0 N-CA-C 109.953 -0.388 . . . . 0.71 109.953 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -126.54 133.66 51.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.842 0.353 . . . . 1.67 110.227 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 58.1 mt -125.23 131.33 72.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.054 -0.521 . . . . 0.49 110.166 -177.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.74 108.55 20.08 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.179 -0.674 . . . . 1.4 109.179 176.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.613 HG22 HD22 ' A' ' 83' ' ' LEU . 76.2 mt -94.72 108.15 20.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.176 -0.61 . . . . 0.38 110.036 175.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 88.7 mt -91.87 120.05 32.2 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.254 -0.647 . . . . 1.61 109.254 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.613 HD22 HG22 ' A' ' 81' ' ' ILE . 1.2 pt? -140.81 155.33 46.4 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.669 -0.241 . . . . 1.17 110.456 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -107.08 99.4 8.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.884 0.85 . . . . 2.04 110.241 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -174.81 163.97 2.41 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 114.067 -1.424 . . . . 2.02 108.199 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.65 119.6 6.64 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 121.796 1.664 . . . . 0.85 111.172 170.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.0 m -124.52 130.38 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.278 0.561 . . . . 1.17 111.396 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.3 p -100.18 167.96 10.16 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 1.44 109.767 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.04 -31.01 88.86 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 121.749 1.633 . . . . 1.14 111.443 172.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.77 -33.09 68.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.075 -0.511 . . . . 2.43 110.589 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -65.72 -45.63 81.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.472 -0.566 . . . . 3.78 109.472 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.84 -43.02 99.68 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.845 -0.616 . . . . 1.46 110.324 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -58.03 -35.26 71.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.02 -0.536 . . . . 3.25 110.88 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -65.17 -36.76 85.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.25 -0.432 . . . . 2.44 110.944 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.441 HD12 HG11 ' A' ' 105' ' ' VAL . 87.2 mt -86.5 -35.23 19.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.201 0.524 . . . . 1.14 110.603 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.58 ' HA ' ' CG1' ' A' ' 103' ' ' VAL . 64.7 tt0 -69.41 -27.66 65.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.582 -0.735 . . . . 2.2 110.661 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -81.32 -27.17 35.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.49 -0.323 . . . . 2.87 110.925 172.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.92 -45.88 90.4 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.88 0.371 . . . . 3.64 111.195 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.51 154.05 26.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.212 -0.449 . . . . 0.6 110.55 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -92.15 99.01 11.89 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.81 -0.811 . . . . 1.77 108.81 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.96 -175.42 0.59 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.091 -1.413 . . . . 0.5 107.509 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -109.4 87.66 2.55 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.332 -0.988 . . . . 1.77 108.332 167.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.58 ' CG1' ' HA ' ' A' ' 96' ' ' GLN . 3.3 p -98.59 122.04 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 115.409 -0.814 . . . . 1.05 110.503 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -113.01 131.16 55.88 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.068 -0.969 . . . . 2.71 108.962 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.544 HG12 ' HB ' ' A' ' 81' ' ' ILE . 3.4 m -113.78 129.84 68.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.251 0.548 . . . . 0.71 110.216 -173.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' HD23 ' A' ' 82' ' ' LEU . 2.4 mmp_? -121.09 137.02 54.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.019 -0.537 . . . . 2.63 110.317 -176.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 5.3 t -87.56 115.81 25.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.382 0.611 . . . . 0.64 110.366 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.5 m -118.33 122.29 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.969 -0.56 . . . . 1.34 111.026 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.2 p -105.47 1.67 27.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.183 -0.462 . . . . 1.22 111.786 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 m -153.53 157.16 32.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 O-C-N 122.4 -0.188 . . . . 0.93 110.934 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.534 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 82.4 Cg_exo -50.31 -52.97 7.89 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.093 2.529 . . . . 0.6 113.452 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 4.5 m-20 -62.33 -29.0 70.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 2.04 111.651 -175.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.78 -47.38 86.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.158 0.504 . . . . 2.21 109.824 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -64.77 -47.61 77.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.48 110.77 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 26.3 mtpp -56.55 -36.76 69.64 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.777 -0.647 . . . . 1.53 110.811 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.4 -58.03 9.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.683 -0.689 . . . . 4.21 111.166 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -66.13 -31.52 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 0.99 111.843 -173.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.3 mt -59.42 -45.49 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.922 0.391 . . . . 0.57 110.52 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -73.1 -28.01 62.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 2.66 111.142 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -71.71 -44.93 63.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.945 0.402 . . . . 2.48 110.383 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -63.92 -28.82 70.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.837 -0.619 . . . . 1.43 110.96 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.8 m -64.4 -30.05 71.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.054 0.455 . . . . 1.31 110.656 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.008 -0.542 . . . . 2.53 111.363 -175.825 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.476 ' SD ' ' HG3' ' A' ' 78' ' ' LYS . 40.3 ttm . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.833 -0.432 . . . . 2.17 109.833 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 m -104.32 132.48 50.52 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.013 -0.365 . . . . 0.82 110.013 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -99.75 123.75 44.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.09 0.471 . . . . 0.39 110.82 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 57.9 m-85 -111.39 141.46 44.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.73 -0.668 . . . . 1.3 109.95 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.9 t -121.22 106.81 19.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.166 0.508 . . . . 1.08 110.348 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.49 ' HB2' HG12 ' A' ' 81' ' ' ILE . 7.9 mp -95.32 141.43 28.9 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.651 -0.87 . . . . 1.18 108.651 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.681 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 12.2 tt -148.38 128.09 4.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.104 -0.638 . . . . 0.55 112.574 -174.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.462 HD11 HD13 ' A' ' 58' ' ' LEU . 6.2 mp -115.94 80.95 1.52 Allowed 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.251 -0.648 . . . . 1.24 109.251 171.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -149.17 88.69 1.6 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.634 -0.876 . . . . 1.27 108.634 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -86.23 85.68 7.34 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.028 -1.469 . . . . 2.75 110.711 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.597 ' OD2' ' HG3' ' A' ' 33' ' ' LYS . 23.8 t70 -121.11 137.05 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.106 -1.406 . . . . 1.57 107.745 163.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -55.66 28.37 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 119.067 0.849 . . . . 2.93 111.536 -171.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HG3' ' OD2' ' A' ' 31' ' ' ASP . 13.3 pttp -64.77 -36.19 83.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 3.44 111.593 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 3.0 tm? -56.24 -53.95 51.14 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.724 0.297 . . . . 1.46 110.338 175.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.55 -36.79 75.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.69 110.705 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 6.5 mm-40 -59.24 -61.47 2.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 2.15 110.889 175.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.538 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 54.0 mm-40 -58.32 -41.86 85.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.356 -0.383 . . . . 2.05 111.996 -177.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.91 93.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.51 111.111 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -69.51 -38.99 77.84 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 120.862 -0.335 . . . . 2.96 110.894 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 65.5 mttm -56.13 -31.32 63.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 1.88 110.847 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.2 tpp -75.7 -56.18 4.94 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.218 -0.446 . . . . 1.68 111.216 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.23 71.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.307 0.484 . . . . 0.49 112.307 -174.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.32 -51.08 71.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.305 0.574 . . . . 2.41 109.459 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -66.1 -30.9 71.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.039 -0.982 . . . . 3.63 110.715 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.56 -3.76 39.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.66 111.493 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.2 t30 67.35 43.23 2.03 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.581 -0.736 . . . . 2.18 110.491 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -107.2 155.97 19.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.539 -0.755 . . . . 0.59 109.214 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mt -94.77 96.1 5.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.151 0.5 . . . . 0.53 109.852 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tt -89.87 133.01 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.838 -0.619 . . . . 1.14 109.912 -178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.3 mm -118.76 102.21 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.053 -0.521 . . . . 0.94 110.24 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.81 120.38 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 1.17 110.463 175.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.528 HG11 ' HB2' ' A' ' 61' ' ' ALA . 4.5 m -127.48 -178.12 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.104 0.478 . . . . 1.38 111.454 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -135.98 99.06 0.3 Allowed Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.54 -0.755 . . . . 1.24 112.415 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 6.4 m-20 87.04 162.56 0.08 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.0 0.92 . . . . 1.98 111.343 170.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 2.4 mp0 -47.93 -41.94 26.04 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.352 0.407 . . . . 2.21 111.359 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.79 -50.27 72.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.526 -0.761 . . . . 2.04 111.106 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 31.5 mm-40 -70.22 -28.74 65.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.557 -0.292 . . . . 2.16 111.021 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.462 HD13 HD11 ' A' ' 28' ' ' LEU . 60.5 tp -63.88 -41.07 97.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.326 -0.397 . . . . 0.83 110.033 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 67.6 mttm -56.2 -32.2 64.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.311 0.577 . . . . 2.26 111.149 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.482 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 6.8 mmpt? -84.32 -31.32 24.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.346 -0.843 . . . . 2.35 110.421 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.528 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -71.65 -37.1 70.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 0.47 110.087 175.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 58' ' ' LEU . 95.6 mt -59.51 -51.4 73.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.595 -0.729 . . . . 0.83 110.611 177.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -71.25 -29.06 64.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.47 -0.332 . . . . 2.76 110.571 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' HG13 ' A' ' 68' ' ' ILE . 85.3 tttt -65.38 -48.25 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 2.11 110.171 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.79 99.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.38 110.237 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.87 -34.79 68.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.372 -0.831 . . . . 1.36 110.861 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 38.7 t70 -83.68 -42.67 16.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.788 -0.642 . . . . 1.68 111.755 -175.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 64' ' ' LYS . 77.4 mt -67.43 -40.4 84.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.167 0.508 . . . . 0.51 110.684 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.517 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -65.95 -60.31 2.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.685 -0.689 . . . . 0.53 111.262 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 23.1 ttmt -64.61 -23.96 67.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.806 -1.088 . . . . 1.5 111.509 -174.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 87.6 tttt . . . . . 0 C--N 1.33 -0.278 0 O-C-N 124.182 0.927 . . . . 2.71 111.22 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.547 0 CA-C-O 121.157 0.503 . . . . 0.71 110.981 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.476 ' HG3' ' SD ' ' A' ' 21' ' ' MET . 44.0 mttm -129.89 126.19 37.36 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.374 -0.973 . . . . 1.67 108.374 172.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.56 ' HB ' HG23 ' A' ' 103' ' ' VAL . 62.0 mt -121.67 143.31 34.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.977 -0.556 . . . . 0.49 109.969 -172.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -112.18 124.34 52.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.04 -0.726 . . . . 1.4 109.04 176.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.49 HG12 ' HB2' ' A' ' 26' ' ' LEU . 80.3 mt -109.2 103.9 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.996 -0.372 . . . . 0.38 109.996 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.681 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 90.3 mt -99.33 140.51 33.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 1.61 109.953 176.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -163.44 156.05 18.27 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.67 -0.241 . . . . 1.17 110.722 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -99.41 99.17 10.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.493 -1.669 . . . . 2.04 106.493 171.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.449 ' HB3' HD13 ' A' ' 83' ' ' LEU . 24.5 ttmm -176.75 143.73 0.59 Allowed Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.234 -0.894 . . . . 2.02 109.527 -172.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.36 118.21 5.27 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.388 1.392 . . . . 0.85 110.621 170.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -130.93 143.8 39.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.174 0.512 . . . . 1.17 111.053 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -87.63 137.19 32.19 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.51 -0.768 . . . . 1.44 110.12 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.46 -20.68 41.88 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.921 2.414 . . . . 1.14 111.863 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.97 -42.27 66.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.297 -0.631 . . . . 2.43 109.297 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -66.92 -30.91 71.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.363 -0.835 . . . . 3.78 110.01 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.77 -40.86 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.768 -0.651 . . . . 1.46 110.82 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -81.78 -11.92 58.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.295 -0.412 . . . . 3.25 110.782 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.18 -46.91 39.18 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.294 -1.002 . . . . 2.44 108.294 171.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 98' ' ' TYR . 9.2 mp -66.27 -38.51 87.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.0 -1.0 . . . . 1.14 110.581 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -67.7 -23.13 65.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 2.2 109.992 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -80.22 -38.48 31.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 2.87 111.394 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 20.4 m-85 -61.27 -50.05 74.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.807 0.337 . . . . 3.64 111.226 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.54 149.43 22.21 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.482 -0.562 . . . . 0.6 109.482 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -87.25 99.53 12.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.156 -1.053 . . . . 1.77 108.156 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.32 178.24 1.39 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.462 -1.245 . . . . 0.5 109.085 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -111.74 89.37 3.04 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.054 -0.721 . . . . 1.77 109.054 169.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.56 HG23 ' HB ' ' A' ' 79' ' ' ILE . 6.4 p -86.67 138.39 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 121.527 0.68 . . . . 1.05 110.386 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.434 ' O ' HD23 ' A' ' 80' ' ' LEU . 67.4 ttt180 -111.58 101.24 9.66 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.023 -0.989 . . . . 2.71 108.531 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.51 111.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 110.131 -0.322 . . . . 0.71 110.131 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.415 ' HB2' HD23 ' A' ' 82' ' ' LEU . 17.6 mmm180 -123.04 133.57 54.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.07 0.462 . . . . 2.63 111.06 -174.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.9 t -87.45 138.95 31.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.062 -0.517 . . . . 0.64 109.898 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.56 150.06 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.939 0.399 . . . . 1.34 110.559 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.1 p -117.52 -27.04 6.44 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.843 -0.617 . . . . 1.22 111.584 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.2 m -139.69 152.47 68.51 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 122.207 -0.308 . . . . 0.93 111.284 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.455 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 51.3 Cg_exo -53.1 -47.76 25.8 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.651 2.234 . . . . 0.6 113.495 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.59 -39.78 74.12 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.063 0.459 . . . . 2.04 111.012 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -63.24 -42.99 99.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.386 -0.825 . . . . 2.21 110.328 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.07 95.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.524 . . . . 0.48 110.521 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.538 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 54.6 mtpt -60.3 -37.14 79.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.918 -0.583 . . . . 1.53 110.281 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.97 -44.43 96.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.292 -0.867 . . . . 4.21 111.152 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -65.44 -43.97 88.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.99 110.594 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.02 -44.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.995 0.426 . . . . 0.57 110.43 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.578 ' O ' ' HG3' ' A' ' 123' ' ' GLU . 62.1 tttp -57.22 -51.05 70.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.616 -0.72 . . . . 2.66 110.728 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.0 -41.78 97.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 2.48 110.728 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -67.59 -30.82 70.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.758 -0.656 . . . . 1.43 111.026 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.7 t -75.67 -34.31 60.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.148 -0.478 . . . . 1.31 110.651 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 119' ' ' LYS . 44.7 mt-10 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.485 -0.325 . . . . 2.53 111.245 -177.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.782 0.325 . . . . 2.17 110.44 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.3 m -96.54 147.45 23.85 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.765 -0.458 . . . . 0.82 109.765 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 78' ' ' LYS . 53.8 mt -113.46 120.58 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.05 0.452 . . . . 0.39 110.782 -177.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 68.8 m-85 -111.15 149.31 31.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.995 -0.548 . . . . 1.3 110.153 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 49' ' ' LEU . 2.5 p -142.02 122.4 11.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.509 0.671 . . . . 1.08 111.242 177.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.484 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.7 mm? -103.24 162.85 12.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.072 -0.967 . . . . 1.18 108.669 176.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.647 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.6 tt -150.23 118.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.233 0.457 . . . . 0.55 112.233 -175.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 83' ' ' LEU . 6.0 mp -107.56 79.81 1.33 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.504 0.669 . . . . 1.24 109.863 170.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -149.57 144.81 26.46 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.085 -1.08 . . . . 1.27 108.085 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -122.01 86.53 2.59 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.389 -1.324 . . . . 2.75 110.43 166.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.654 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.1 t70 -119.9 145.16 46.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.282 -1.327 . . . . 1.57 108.506 167.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -75.38 -32.23 60.72 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 111.791 0.293 . . . . 2.93 111.791 -173.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -82.62 -46.83 12.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.673 0.273 . . . . 3.44 110.675 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.763 HD13 ' HA ' ' A' ' 111' ' ' PRO . 38.6 tp -54.57 -51.28 65.76 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.885 -0.598 . . . . 1.46 111.22 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.2 mt -58.42 -39.66 75.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.714 0.292 . . . . 0.69 111.292 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 15.2 mm-40 -69.64 -56.31 7.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.544 -0.298 . . . . 2.15 111.313 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.85 -33.03 74.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.585 -0.279 . . . . 2.05 111.439 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.91 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.651 -0.25 . . . . 0.51 110.69 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -72.65 -34.42 67.24 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 120.222 -0.591 . . . . 2.96 110.785 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.642 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 68.9 mttm -61.41 -37.99 85.47 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.557 -0.457 . . . . 1.88 110.329 177.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.5 tpt -74.76 -47.38 31.3 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.309 -0.405 . . . . 1.68 110.335 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -69.93 -31.19 68.82 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.367 0.506 . . . . 0.49 112.367 -175.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -65.9 -47.42 74.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.464 -0.569 . . . . 2.41 109.464 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 4.2 mptp? -73.6 -11.65 60.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.545 . . . . 3.63 110.377 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' ' 122' ' ' SER . . . -97.45 1.17 48.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.914 -0.585 . . . . 0.66 110.423 176.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 56.75 43.38 25.31 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.072 -0.967 . . . . 2.18 111.889 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.448 HD12 HG23 ' A' ' 118' ' ' ILE . 54.5 mt -104.5 141.7 35.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.925 -0.58 . . . . 0.59 109.943 178.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mt -82.01 96.81 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.856 -0.424 . . . . 0.53 109.856 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HA ' HG13 ' A' ' 25' ' ' VAL . 19.0 tp -92.89 111.98 23.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 1.14 111.336 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.484 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 5.2 mp -104.79 115.78 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.131 -0.486 . . . . 0.94 109.711 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.9 p -75.4 122.65 24.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.273 -0.421 . . . . 1.17 110.167 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 p -150.35 115.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.889 0.376 . . . . 1.38 110.855 -174.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -116.75 95.79 0.69 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 119.562 -1.304 . . . . 1.24 113.007 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 31.4 t70 161.71 146.01 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.707 1.203 . . . . 1.98 108.919 173.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -64.44 -47.36 79.35 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.945 0.339 . . . . 2.21 111.086 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 28.9 mm-40 -67.69 -37.82 82.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.153 -0.476 . . . . 2.04 110.01 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 68.7 mm-40 -65.26 -32.87 74.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.268 -0.424 . . . . 2.16 110.826 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 62' ' ' ILE . 58.1 tp -60.7 -44.23 96.81 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.686 -0.487 . . . . 0.83 109.686 175.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -56.49 -24.39 45.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.342 0.592 . . . . 2.26 111.002 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 45.0 mmtt -90.31 -33.82 15.96 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.294 -0.866 . . . . 2.35 110.024 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.88 60.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.705 . . . . 0.47 111.246 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -65.83 -34.37 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 120.304 -0.558 . . . . 0.83 109.902 177.048 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -65.34 -38.02 88.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 2.76 110.402 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -65.81 -41.29 92.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.92 -0.582 . . . . 2.11 110.198 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.32 97.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 0.38 110.193 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -56.69 -41.37 77.24 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.469 -0.787 . . . . 1.36 111.088 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.39 -50.54 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.616 -0.72 . . . . 1.68 111.116 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.2 mt -68.42 -35.51 70.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.286 -0.416 . . . . 0.51 110.93 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.406 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -66.57 -66.35 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.321 -0.4 . . . . 0.53 111.689 -178.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -66.55 -10.92 50.07 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 112.241 0.46 . . . . 1.5 112.241 -174.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.025 0.828 . . . . 2.71 111.387 -179.498 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.818 0.342 . . . . 0.71 110.777 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.401 ' HB2' HD22 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -108.33 131.8 54.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.773 -0.825 . . . . 1.67 108.773 171.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mm -120.27 113.76 41.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.03 -0.359 . . . . 0.49 110.03 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 104' ' ' ARG . 26.7 tp -94.28 126.35 39.48 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.718 -0.475 . . . . 1.4 109.718 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.414 HD12 HG12 ' A' ' 105' ' ' VAL . 66.6 mt -112.44 99.73 9.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.492 -0.558 . . . . 0.38 109.492 174.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -92.63 110.49 21.92 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.41 -0.814 . . . . 1.61 109.463 -175.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.1 pp -145.37 177.87 8.51 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.78 0.324 . . . . 1.17 111.376 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.9 102.49 9.12 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.16 -1.052 . . . . 2.04 108.16 168.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.406 ' HB3' HD13 ' A' ' 83' ' ' LEU . 40.8 ttmt -173.73 130.46 0.53 Allowed Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 114.979 -1.009 . . . . 2.02 108.998 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.68 118.81 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 121.952 1.768 . . . . 0.85 110.787 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.3 m -117.19 126.37 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.386 0.612 . . . . 1.17 111.663 -175.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.9 m -99.38 148.39 34.62 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.595 -0.73 . . . . 1.44 110.041 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -44.09 -46.01 11.49 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.045 2.496 . . . . 1.14 113.217 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.21 -41.91 89.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 2.43 111.188 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -67.73 -39.46 84.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.481 -0.327 . . . . 3.78 110.381 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.82 -35.55 80.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.294 0.568 . . . . 1.46 110.016 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -67.95 -34.02 75.77 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.515 -0.766 . . . . 3.25 110.097 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.24 -32.71 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 2.44 110.141 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.497 HD12 HG11 ' A' ' 105' ' ' VAL . 91.9 mt -73.5 -38.23 65.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.51 . . . . 1.14 110.079 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.454 ' HG2' ' H ' ' A' ' 103' ' ' VAL . 90.3 mt-30 -68.32 -20.11 64.72 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.335 0.588 . . . . 2.2 109.826 172.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -79.44 -37.78 36.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.535 -0.757 . . . . 2.87 111.166 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.71 -48.59 76.46 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.912 0.387 . . . . 3.64 110.493 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.01 119.79 36.39 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.654 -0.498 . . . . 0.6 109.654 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -76.42 102.3 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.942 0.877 . . . . 1.77 110.083 -175.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -174.88 -171.98 0.58 Allowed 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.522 -1.672 . . . . 0.5 106.925 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -99.34 92.1 5.26 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.409 -0.916 . . . . 1.77 109.19 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.454 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 15.6 t -82.14 118.03 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 114.868 -1.06 . . . . 1.05 110.236 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 80' ' ' LEU . 77.6 mtp180 -101.38 101.7 12.39 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.625 -0.716 . . . . 2.71 109.083 174.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.497 HG11 HD12 ' A' ' 95' ' ' LEU . 4.0 m -91.62 140.04 16.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 109.413 -0.588 . . . . 0.71 109.413 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -133.77 132.04 40.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.609 0.242 . . . . 2.63 111.495 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 6.4 t -100.61 122.56 43.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.986 -0.552 . . . . 0.64 109.782 174.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.16 145.29 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.247 0.546 . . . . 1.34 111.015 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.2 p -93.63 -29.93 15.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.624 -0.716 . . . . 1.22 111.387 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.5 m -149.35 160.42 34.6 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 116.366 -0.379 . . . . 0.93 110.572 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.763 ' HA ' HD13 ' A' ' 34' ' ' LEU . 95.6 Cg_exo -43.07 -44.02 9.62 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.397 2.731 . . . . 0.6 113.18 177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 13.0 t70 -51.11 -42.45 60.68 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.29 -0.868 . . . . 2.04 112.418 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.71 -49.19 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 2.21 110.972 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.91 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.48 111.332 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 30.2 mtpp -52.38 -41.29 62.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.776 -0.647 . . . . 1.53 110.879 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -82.16 -32.12 30.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.475 . . . . 4.21 111.977 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -70.78 -39.5 73.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.663 0.268 . . . . 0.99 111.236 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.448 HG23 HD12 ' A' ' 47' ' ' LEU . 91.7 mt -61.45 -36.37 72.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.153 -0.476 . . . . 0.57 110.176 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -60.99 -51.37 69.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 2.66 110.973 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.6 -38.55 91.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 2.48 111.326 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -67.71 -44.57 77.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 1.43 111.311 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.435 ' CB ' ' HB1' ' A' ' 45' ' ' ALA . 11.5 p -69.48 -38.54 77.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.58 -0.282 . . . . 1.31 111.336 -177.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 2.53 111.012 179.654 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.757 0.313 . . . . 2.17 110.826 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.8 m -82.0 138.0 35.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.337 -0.616 . . . . 0.82 109.337 172.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HB2' HD22 ' A' ' 47' ' ' LEU . 85.5 mt -102.84 113.27 26.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.164 0.507 . . . . 0.39 110.462 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CE1' HD12 ' A' ' 48' ' ' ILE . 57.0 m-85 -101.11 151.21 22.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.701 -0.681 . . . . 1.3 109.607 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.1 p -140.85 117.18 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.907 0.86 . . . . 1.08 110.984 176.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 58' ' ' LEU . 7.5 mp -103.89 155.77 18.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.755 -1.112 . . . . 1.18 108.598 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 6.1 tt -146.93 109.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 C-N-CA 120.601 -0.44 . . . . 0.55 111.753 -175.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.534 HD13 HD13 ' A' ' 58' ' ' LEU . 2.8 mp -96.31 82.47 3.42 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.625 0.726 . . . . 1.24 109.43 174.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.9 t -147.67 143.8 27.91 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.592 -1.185 . . . . 1.27 108.976 175.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -118.3 84.24 2.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.494 1.14 . . . . 2.75 109.272 164.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.2 t70 -122.15 163.18 19.98 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.072 -1.422 . . . . 1.57 108.011 169.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 46.9 mmtm -90.25 -34.06 15.91 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 118.643 0.656 . . . . 2.93 110.847 174.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -90.19 -43.05 10.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.672 -0.24 . . . . 3.44 111.092 -176.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.564 ' HG ' ' HA ' ' A' ' 111' ' ' PRO . 6.1 tt -56.56 -43.7 80.21 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.327 -0.397 . . . . 1.46 110.219 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.3 mt -60.32 -48.56 87.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.69 111.042 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 21.5 mm-40 -65.87 -45.5 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 2.15 111.703 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -58.49 -37.9 76.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.958 0.409 . . . . 2.05 110.679 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.25 -49.53 71.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.51 110.516 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -66.44 -37.45 85.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.365 -0.379 . . . . 2.96 111.611 -177.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 98.4 mttt -49.49 -47.77 48.37 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.987 0.422 . . . . 1.88 110.774 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 mmt -76.42 -52.23 10.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.946 -0.57 . . . . 1.68 111.045 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -64.89 -39.52 93.65 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.493 0.553 . . . . 0.49 112.493 -172.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.05 -39.26 89.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.254 0.55 . . . . 2.41 109.811 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 44' ' ' LYS . 3.9 tmmm? -70.64 -33.22 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.634 -0.712 . . . . 3.63 109.251 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.54 14.72 4.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.671 -0.695 . . . . 0.66 111.048 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.7 p30 46.24 31.25 1.17 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.246 1.019 . . . . 2.18 112.624 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 23' ' ' LEU . 42.0 mt -79.7 155.07 28.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.415 -0.587 . . . . 0.59 109.415 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.504 HD12 ' CE1' ' A' ' 24' ' ' PHE . 42.0 mt -91.27 92.31 3.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.252 0.549 . . . . 0.53 109.624 176.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 50.6 tp -84.68 117.06 23.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.184 -0.917 . . . . 1.14 110.416 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.9 mt -110.82 101.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.204 0.526 . . . . 0.94 109.693 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.5 p -80.01 100.81 8.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.71 -0.677 . . . . 1.17 111.431 -177.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 13.4 m -126.11 139.04 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.693 -0.685 . . . . 1.38 109.764 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.587 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -125.01 94.15 0.45 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 119.281 -1.437 . . . . 1.24 111.867 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 13.3 t70 158.8 148.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.734 -1.21 . . . . 1.98 107.734 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -71.99 -25.11 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.79 0.328 . . . . 2.21 110.775 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 10.5 mm-40 -82.16 -37.23 26.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.262 -0.426 . . . . 2.04 109.888 177.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -70.19 -25.85 63.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 2.16 110.655 177.056 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD12 HD23 ' A' ' 26' ' ' LEU . 63.0 tp -58.75 -43.13 90.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.272 -0.64 . . . . 0.83 109.272 171.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.29 -22.67 66.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.699 -0.682 . . . . 2.26 111.787 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 26.4 mmtp -84.23 -41.3 17.08 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.819 -0.628 . . . . 2.35 109.975 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.67 83.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.671 -0.695 . . . . 0.47 109.934 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.89 -46.1 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 0.83 111.107 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -61.74 -46.32 90.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.35 . . . . 2.76 111.318 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 68' ' ' ILE . 18.4 ptpt -72.28 -27.24 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.814 -0.355 . . . . 2.11 110.921 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.07 -45.42 85.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 0.38 110.068 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.448 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 4.7 t70 -61.68 -38.18 86.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 1.36 110.382 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.83 -50.86 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.538 -0.755 . . . . 1.68 111.195 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 64' ' ' LYS . 83.6 mt -64.52 -34.07 67.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-O 121.071 0.462 . . . . 0.51 110.632 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.93 -59.99 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.012 -0.54 . . . . 0.53 111.265 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 100' ' ' ASP . 84.1 mttt -66.39 -12.48 57.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.676 0.621 . . . . 1.5 112.676 -175.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? . . . . . 0 C--N 1.327 -0.382 0 O-C-N 123.978 0.799 . . . . 2.71 110.753 -175.249 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 120.812 0.339 . . . . 0.71 111.173 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' HB2' ' A' ' 102' ' ' GLU . 59.4 mttp -127.99 134.55 49.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.007 -0.542 . . . . 1.67 109.84 177.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.503 ' HB ' HG23 ' A' ' 103' ' ' VAL . 59.2 mt -127.75 135.94 61.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.123 -0.489 . . . . 0.49 110.145 -177.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.36 123.56 48.54 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.93 -0.767 . . . . 1.4 108.93 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.603 HG22 HD22 ' A' ' 83' ' ' LEU . 86.7 mt -110.39 107.62 23.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.553 -0.536 . . . . 0.38 109.553 173.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 106' ' ' ARG . 94.5 mt -92.35 99.74 12.44 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.562 -0.533 . . . . 1.61 109.562 175.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.625 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.7 pt? -124.43 137.86 54.41 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.581 -0.282 . . . . 1.17 110.778 -176.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 47.5 mt-10 -89.09 99.41 12.4 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 119.293 -0.963 . . . . 2.04 109.605 173.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -174.32 157.7 2.52 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 114.896 -1.047 . . . . 2.02 108.351 168.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.85 119.14 6.13 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 121.935 1.756 . . . . 0.85 110.878 172.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.11 140.65 42.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.227 0.537 . . . . 1.17 111.954 -176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -101.07 148.86 35.69 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.42 -0.809 . . . . 1.44 109.284 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -48.96 -36.14 33.8 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.86 2.373 . . . . 1.14 113.007 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.35 -34.47 72.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.284 -0.416 . . . . 2.43 110.854 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -74.63 -31.86 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.651 -0.249 . . . . 3.78 111.18 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.73 -45.25 94.98 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.42 -0.585 . . . . 1.46 109.42 173.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.57 -27.82 69.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 3.25 110.793 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -76.47 -36.56 57.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.55 -0.295 . . . . 2.44 110.568 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.1 mt -77.16 -35.7 55.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.544 0.687 . . . . 1.14 109.534 174.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -67.93 -19.32 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.68 -1.145 . . . . 2.2 109.326 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -81.15 -40.25 24.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.018 -0.992 . . . . 2.87 111.506 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -62.98 -47.16 84.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.823 0.344 . . . . 3.64 111.271 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -104.45 147.85 27.11 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.507 -0.553 . . . . 0.6 109.507 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.422 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 15.2 m-20 -90.47 99.1 12.19 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.416 -0.957 . . . . 1.77 108.416 175.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.74 176.07 2.32 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 113.866 -1.515 . . . . 0.5 108.44 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 18.0 mt-10 -99.94 89.22 3.99 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.796 -0.816 . . . . 1.77 108.796 173.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.6 p -86.66 138.61 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 121.291 0.567 . . . . 1.05 109.965 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -117.91 100.52 7.62 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.278 -0.874 . . . . 2.71 108.649 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -78.47 129.19 37.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.285 -0.566 . . . . 0.71 109.778 -176.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.457 ' HB2' HD23 ' A' ' 82' ' ' LEU . 5.6 mmp_? -130.34 137.2 49.8 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.19 -0.319 . . . . 2.63 110.291 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.625 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 13.9 t -102.9 138.2 40.1 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.547 -0.538 . . . . 0.64 109.547 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 27.6 m -130.18 166.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.375 -0.375 . . . . 1.34 110.707 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.7 p -138.01 -7.46 1.61 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.32 -0.4 . . . . 1.22 111.576 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -151.91 144.58 16.92 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 111.936 0.347 . . . . 0.93 111.936 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.564 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 50.9 Cg_exo -37.06 -51.83 1.42 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 124.506 3.471 . . . . 0.6 114.886 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.488 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 2.5 m-20 -58.81 -32.09 69.05 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.172 0.434 . . . . 2.04 112.172 -175.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.75 -40.61 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.733 0.302 . . . . 2.21 110.508 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -59.8 -50.99 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.012 -0.54 . . . . 0.48 110.875 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 47.2 pttt -69.25 -27.88 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 1.53 111.062 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -62.01 -48.21 81.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.394 . . . . 4.21 110.584 174.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -67.26 -33.54 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.99 111.692 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.3 mt -61.49 -41.88 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.917 0.389 . . . . 0.57 110.436 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.75 -41.7 87.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 2.66 110.713 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.8 -23.09 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.773 -0.649 . . . . 2.48 111.044 -178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -90.96 -49.16 6.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.315 -0.402 . . . . 1.43 111.891 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 p -60.64 -65.68 0.65 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.071 0.397 . . . . 1.31 112.071 -172.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 C--N 1.327 -0.412 0 C-N-CA 120.572 -0.451 . . . . 2.53 110.316 179.189 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.8 mmt . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.695 -0.483 . . . . 2.17 109.695 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.9 m -73.84 129.29 37.6 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.987 -0.375 . . . . 0.82 109.987 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.541 ' HB2' HD22 ' A' ' 47' ' ' LEU . 77.3 mt -106.76 123.58 48.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.196 0.522 . . . . 0.39 111.063 -174.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.458 ' CE2' HD12 ' A' ' 48' ' ' ILE . 49.5 m-85 -114.37 151.23 33.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.612 -0.722 . . . . 1.3 109.957 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.4 p -144.52 120.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.574 0.702 . . . . 1.08 110.747 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 58' ' ' LEU . 6.2 mp -104.04 159.55 15.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.489 -0.93 . . . . 1.18 108.489 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.772 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.3 tt -150.45 120.58 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 120.515 -0.474 . . . . 0.55 112.173 -177.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.5 mp -106.66 81.53 1.59 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.542 -0.54 . . . . 1.24 109.542 167.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.414 ' OG ' HD23 ' A' ' 34' ' ' LEU . 41.5 t -148.41 144.03 27.19 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.707 -0.679 . . . . 1.27 109.171 171.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.455 ' HA ' HD11 ' A' ' 35' ' ' ILE . 2.5 p30 -126.77 85.94 2.44 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.94 -1.104 . . . . 2.75 110.326 164.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.611 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 22.8 t70 -121.19 134.88 55.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.14 -1.391 . . . . 1.57 107.709 162.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -66.26 -30.31 70.72 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.934 0.346 . . . . 2.93 111.934 -174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -81.1 -49.47 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.828 0.347 . . . . 3.44 110.46 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.732 HD13 ' HA ' ' A' ' 111' ' ' PRO . 12.7 tp -57.43 -47.6 81.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.82 -0.627 . . . . 1.46 111.653 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 30' ' ' ASN . 64.5 mt -57.07 -40.86 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.549 0.214 . . . . 0.69 110.925 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 39.5 mt-10 -65.89 -54.97 19.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.818 -0.353 . . . . 2.15 111.178 178.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.61 -39.71 85.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.66 0.266 . . . . 2.05 111.062 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.59 89.63 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.153 -0.476 . . . . 0.51 110.689 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 40.5 ttt180 -67.33 -43.9 80.44 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.498 -0.319 . . . . 2.96 110.741 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.7 mttm -54.84 -42.14 71.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.473 0.178 . . . . 1.88 111.332 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.8 mmt -61.64 -55.77 27.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.78 0.324 . . . . 1.68 110.579 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -67.81 -29.54 68.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.957 -0.565 . . . . 0.49 111.729 -177.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 7.0 tp10 -63.04 -48.16 79.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.344 0.592 . . . . 2.41 109.56 -178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 5.2 mptp? -77.57 -24.93 49.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.47 -0.786 . . . . 3.63 110.912 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.46 -2.68 57.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.66 111.24 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 61.38 40.32 14.24 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.272 -0.876 . . . . 2.18 110.914 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 23' ' ' LEU . 29.8 mt -94.86 166.86 11.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.728 -0.669 . . . . 0.59 109.404 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.458 HD12 ' CE2' ' A' ' 24' ' ' PHE . 59.8 mt -101.46 95.05 3.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.142 0.496 . . . . 0.53 110.01 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 55.1 tp -87.94 135.06 33.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.513 -0.767 . . . . 1.14 110.269 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.8 mt -126.95 106.26 15.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.378 -0.373 . . . . 0.94 110.02 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.3 p -72.71 121.85 20.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.054 -0.521 . . . . 1.17 110.807 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 63.9 t -140.54 138.83 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.875 0.369 . . . . 1.38 111.241 -175.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -131.78 92.99 0.29 Allowed Glycine 0 N--CA 1.439 -1.165 0 C-N-CA 119.412 -1.375 . . . . 1.24 111.289 167.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 24.1 t70 164.95 150.57 0.02 OUTLIER 'General case' 0 C--O 1.232 0.178 0 C-N-CA 123.831 0.852 . . . . 1.98 109.154 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -63.77 -45.77 88.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.047 0.451 . . . . 2.21 112.022 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.685 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 44.8 mt-10 -83.51 -29.85 27.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.165 -0.47 . . . . 2.04 111.013 -174.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 36.1 mt-10 -65.09 -29.15 70.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.614 -0.434 . . . . 2.16 109.988 174.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 26' ' ' LEU . 54.5 tp -58.07 -45.11 87.66 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.185 -0.672 . . . . 0.83 109.185 172.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -62.14 -25.59 67.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 2.26 111.323 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 30.9 mmtp -83.16 -38.51 22.26 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.542 -0.754 . . . . 2.35 110.442 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.26 -36.39 79.35 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.39 -0.596 . . . . 0.47 109.39 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.453 ' CG2' ' HB2' ' A' ' 99' ' ' ALA . 85.8 mt -61.68 -49.79 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.379 -0.828 . . . . 0.83 110.493 174.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.59 -34.7 77.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 2.76 110.516 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.6 tttp -66.62 -48.9 68.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 2.11 110.305 177.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.03 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.149 0.499 . . . . 0.38 110.584 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.21 -36.42 75.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.341 -0.845 . . . . 1.36 110.446 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 18.2 t70 -70.16 -48.22 58.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.947 -0.569 . . . . 1.68 110.705 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 64' ' ' LYS . 70.2 mt -56.62 -44.86 81.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.771 -0.65 . . . . 0.51 110.967 -178.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.419 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -67.5 -56.64 8.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.696 -0.684 . . . . 0.53 111.879 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 100' ' ' ASP . 89.2 mttt -59.24 -31.22 68.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.798 1.036 . . . . 1.5 113.798 -170.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 52.2 mtmt . . . . . 0 C--N 1.319 -0.73 0 C-N-CA 120.249 -0.581 . . . . 2.71 110.078 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . . . . . . 0 N--CA 1.446 -0.666 0 N-CA-C 109.902 -0.407 . . . . 0.71 109.902 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 48.8 mttp -102.57 119.72 39.31 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.557 -0.534 . . . . 1.67 109.557 176.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.467 ' HB ' HG23 ' A' ' 103' ' ' VAL . 58.2 mt -115.55 131.43 67.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.895 -0.593 . . . . 0.49 109.686 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 38.4 tp -108.1 120.85 43.51 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.595 -0.521 . . . . 1.4 109.595 176.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.1 mt -104.94 99.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.233 0.54 . . . . 0.38 109.877 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.772 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.9 tm? -91.82 133.04 36.0 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.681 -0.859 . . . . 1.61 108.681 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.493 ' N ' HD13 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -162.02 170.62 18.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.061 0.457 . . . . 1.17 111.603 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -112.43 103.35 11.45 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.038 -1.097 . . . . 2.04 108.038 168.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -173.63 141.05 0.86 Allowed Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.549 -0.751 . . . . 2.02 109.231 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.3 117.39 4.53 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.394 1.396 . . . . 0.85 110.383 170.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.75 128.53 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.442 0.639 . . . . 1.17 112.043 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -100.94 154.23 37.27 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.337 -0.847 . . . . 1.44 109.982 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.574 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 89.2 Cg_exo -42.61 -42.27 8.36 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.219 2.613 . . . . 1.14 113.479 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.8 -41.24 32.0 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.18 0.592 . . . . 2.43 111.656 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -73.05 -37.67 66.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 3.78 110.798 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.439 ' HB2' HG22 ' A' ' 105' ' ' VAL . 29.8 tt0 -63.99 -45.62 88.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.033 -0.531 . . . . 1.46 110.055 177.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 13.3 mmmm -66.15 -34.72 78.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.481 -0.782 . . . . 3.25 109.507 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.22 -50.3 74.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.869 -0.605 . . . . 2.44 110.431 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -70.77 -34.29 71.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.903 -0.59 . . . . 1.14 110.36 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.425 HE21 ' HB3' ' A' ' 96' ' ' GLN . 1.0 OUTLIER -64.46 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.631 -0.713 . . . . 2.2 110.055 177.263 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 94.5 mttt -73.6 -30.28 62.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.512 -0.313 . . . . 2.87 111.776 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -72.88 -50.36 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.693 0.283 . . . . 3.64 111.296 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.453 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -95.37 146.12 24.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.698 -0.482 . . . . 0.6 109.698 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.426 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 4.7 m-20 -88.88 99.81 12.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.422 -0.955 . . . . 1.77 108.422 177.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -175.32 -172.66 0.59 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.306 -1.315 . . . . 0.5 108.878 -173.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.49 88.62 2.96 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.993 -0.743 . . . . 1.77 108.993 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.467 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.9 p -84.41 144.9 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.441 -0.8 . . . . 1.05 110.544 -175.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -121.76 108.49 13.56 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.001 -1.0 . . . . 2.71 108.764 175.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 92' ' ' GLU . 14.8 m -84.96 130.61 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 C-N-CA 119.862 -0.735 . . . . 0.71 109.241 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 106' ' ' ARG . 17.8 mmm180 -128.67 120.23 26.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.137 0.494 . . . . 2.63 111.196 -176.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 15.1 t -97.43 138.81 34.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.625 -0.716 . . . . 0.64 109.879 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.41 162.79 36.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.779 0.323 . . . . 1.34 111.192 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.8 p -124.74 -2.17 7.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 1.22 111.273 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.7 m -152.52 149.37 22.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 0.93 110.813 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.732 ' HA ' HD13 ' A' ' 34' ' ' LEU . 80.7 Cg_exo -47.02 -47.79 15.94 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.158 2.572 . . . . 0.6 113.336 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.74 -40.54 69.41 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.496 -0.775 . . . . 2.04 112.465 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.8 -49.39 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.998 0.428 . . . . 2.21 111.002 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.25 84.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.688 -0.687 . . . . 0.48 111.827 -174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -66.05 -28.39 68.81 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.711 -0.396 . . . . 1.53 110.541 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.4 -49.68 66.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.457 -0.338 . . . . 4.21 110.422 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -62.33 -43.74 98.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.99 110.493 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.15 -38.66 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.57 110.651 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.23 -48.67 74.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 2.66 110.476 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -64.19 -38.13 89.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 2.48 110.723 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.79 -25.39 68.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 1.43 110.796 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.494 ' OG ' HD11 ' A' ' 47' ' ' LEU . 16.6 m -95.49 -6.29 40.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.849 -0.614 . . . . 1.31 110.646 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.418 0.628 . . . . 2.53 110.033 -176.361 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.337 -0.246 . . . . 2.17 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 m -81.96 133.17 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.498 -0.481 . . . . 0.82 109.878 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.97 124.95 53.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.919 0.39 . . . . 0.39 110.829 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 81.3 m-85 -119.24 164.08 16.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.121 -0.49 . . . . 1.3 110.566 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.7 p -149.77 114.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.519 0.676 . . . . 1.08 110.802 174.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.538 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.7 mm? -92.88 157.28 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.327 -0.99 . . . . 1.18 108.327 173.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.1 tt -149.97 115.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.155 -0.618 . . . . 0.55 112.381 -174.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mp -106.48 77.58 1.21 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 108.751 -0.833 . . . . 1.24 108.751 165.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -149.73 87.08 1.47 Allowed 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 107.223 -1.399 . . . . 1.27 107.223 168.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -93.41 91.28 7.09 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.922 -1.111 . . . . 2.75 111.554 -170.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 23.4 t70 -117.72 142.38 47.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.027 -0.988 . . . . 1.57 109.261 165.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -57.89 -53.96 52.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 118.388 0.54 . . . . 2.93 111.269 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -69.14 -43.68 73.86 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.08 -0.509 . . . . 3.44 110.849 -175.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -57.36 -53.86 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.784 -0.644 . . . . 1.46 110.594 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.9 mt -51.52 -32.86 14.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.025 0.441 . . . . 0.69 111.213 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.6 mt-10 -77.06 -47.16 21.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.287 -0.415 . . . . 2.15 110.996 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.63 -37.55 86.76 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.059 0.457 . . . . 2.05 110.552 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.5 74.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.51 110.755 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 49.0 ttp180 -66.31 -46.32 77.31 Favored 'General case' 0 C--O 1.21 -1.009 0 C-N-CA 120.758 -0.377 . . . . 2.96 111.571 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 94.7 mttt -61.37 -30.18 70.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.883 0.373 . . . . 1.88 111.018 -176.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.7 tpt -76.08 -51.19 12.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.127 -0.488 . . . . 1.68 110.769 175.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -70.61 -28.67 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.348 -0.387 . . . . 0.49 111.805 -176.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 7.5 tp10 -62.49 -47.29 84.62 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.08 -0.711 . . . . 2.41 109.08 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -68.32 -25.1 64.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.019 -0.992 . . . . 3.63 111.3 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.08 1.76 34.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.087 -0.506 . . . . 0.66 110.926 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 62.86 29.89 16.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.486 -0.779 . . . . 2.18 110.907 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.413 HD12 HG23 ' A' ' 118' ' ' ILE . 72.4 mt -93.87 128.92 40.4 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.098 -0.705 . . . . 0.59 109.098 176.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.92 98.85 2.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.159 0.504 . . . . 0.53 109.871 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.426 ' HA ' HG13 ' A' ' 25' ' ' VAL . 34.3 tp -84.53 131.69 34.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.467 -0.788 . . . . 1.14 110.463 -178.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.538 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 65.3 mt -125.92 106.09 15.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.477 -0.564 . . . . 0.94 109.477 175.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 p -68.88 131.54 45.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.147 -0.479 . . . . 1.17 110.851 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.46 133.04 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.902 -0.59 . . . . 1.38 109.921 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -128.93 93.61 0.34 Allowed Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 119.252 -1.452 . . . . 1.24 112.507 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 24.2 t70 161.41 141.02 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.815 1.246 . . . . 1.98 107.65 174.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -70.64 -31.9 69.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.393 . . . . 2.21 110.856 -173.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.96 -39.63 49.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.142 -0.481 . . . . 2.04 109.822 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 14.1 mm-40 -73.48 -20.95 60.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.827 -0.624 . . . . 2.16 110.994 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 62' ' ' ILE . 56.3 tp -61.15 -42.38 98.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.468 -0.567 . . . . 0.83 109.468 172.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -63.31 -27.29 69.22 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.543 0.687 . . . . 2.26 110.802 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -76.85 -43.02 37.79 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.656 -1.156 . . . . 2.35 110.506 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.68 87.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 0.47 110.954 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 58' ' ' LEU . 61.5 mt -60.43 -43.15 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.09 0.471 . . . . 0.83 110.317 176.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.44 -39.35 94.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.787 -0.642 . . . . 2.76 110.542 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -61.05 -39.27 89.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.639 -0.71 . . . . 2.11 110.168 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.46 78.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.666 -0.697 . . . . 0.38 110.732 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -53.59 -43.03 68.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.162 0.506 . . . . 1.36 110.741 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.41 -39.68 88.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.229 -0.896 . . . . 1.68 111.431 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 63.9 mt -76.23 -44.3 36.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.348 . . . . 0.51 110.363 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.516 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -53.79 -53.88 46.15 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.53 111.493 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 46.9 mttp -68.92 -29.61 67.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.223 -0.899 . . . . 1.5 112.09 -174.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 tttm . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.13 -0.486 . . . . 2.71 110.774 -178.086 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.398 0 N-CA-C 109.891 -0.411 . . . . 0.71 109.891 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -119.51 127.1 52.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.075 0.464 . . . . 1.67 109.996 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.415 ' HB ' HG23 ' A' ' 103' ' ' VAL . 63.3 mt -128.67 145.4 35.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.85 -0.614 . . . . 0.49 110.473 -173.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.9 tt -110.1 133.58 53.06 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.34 -0.985 . . . . 1.4 108.34 173.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.496 ' N ' HD23 ' A' ' 80' ' ' LEU . 82.6 mt -116.17 103.38 15.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.429 -0.582 . . . . 0.38 109.429 172.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.607 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 20.1 tp -101.71 107.46 18.69 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.63 -0.714 . . . . 1.61 110.023 -174.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -134.97 164.42 27.64 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.99 0.424 . . . . 1.17 111.962 -174.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 44.0 tt0 -103.2 103.14 13.16 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.19 -1.041 . . . . 2.04 108.19 169.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 57.9 mttm -170.12 162.71 6.47 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.586 -0.734 . . . . 2.02 109.762 -174.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -84.83 118.68 2.11 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.592 2.195 . . . . 0.85 110.638 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -117.75 122.49 69.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.775 -0.648 . . . . 1.17 111.266 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.1 m -100.52 156.72 34.89 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 115.919 -0.582 . . . . 1.44 109.678 173.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -44.98 -38.91 13.99 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.877 2.385 . . . . 1.14 113.239 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.61 -25.25 65.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 2.43 111.926 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.46 ' O ' ' HB3' ' A' ' 94' ' ' LYS . 42.0 t80 -76.37 -36.56 58.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.928 -0.397 . . . . 3.78 109.928 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.99 -47.98 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 1.46 110.183 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -70.15 -23.65 63.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 3.25 110.032 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 91' ' ' TYR . 5.1 tppp? -64.9 -51.93 59.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.249 -0.432 . . . . 2.44 109.892 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.5 -32.64 66.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.041 -0.527 . . . . 1.14 110.732 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.6 tm0? -69.23 -22.56 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 2.2 109.6 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -80.28 -28.11 38.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 2.87 111.485 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -71.87 -30.73 65.72 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.013 0.375 . . . . 3.64 112.013 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.59 142.45 51.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.714 -0.221 . . . . 0.6 110.471 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -79.16 99.75 7.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.636 0.731 . . . . 1.77 109.167 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.46 -175.06 0.63 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.425 -1.261 . . . . 0.5 108.977 -177.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 8.4 pt-20 -120.11 98.46 6.09 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.765 0.793 . . . . 1.77 108.941 168.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.415 HG23 ' HB ' ' A' ' 79' ' ' ILE . 9.5 p -95.54 141.34 15.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.512 -0.767 . . . . 1.05 110.861 -173.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -109.5 98.7 8.04 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.546 -0.909 . . . . 2.71 108.546 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.6 m -85.34 123.57 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.626 -0.429 . . . . 0.71 110.01 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -124.5 144.7 49.96 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.192 -0.318 . . . . 2.63 110.313 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 14.7 t -110.25 142.41 41.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.728 0.299 . . . . 0.64 110.533 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.3 m -135.5 151.7 30.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.87 0.367 . . . . 1.34 111.237 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.8 p -123.73 -14.74 7.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 1.22 111.194 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.6 m -137.26 143.12 40.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.935 -0.575 . . . . 0.93 110.055 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -52.94 -30.78 49.79 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.966 3.111 . . . . 0.6 114.562 -176.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -75.67 -27.74 58.44 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.819 -0.352 . . . . 2.04 111.444 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.45 -33.78 75.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.746 -0.464 . . . . 2.21 109.746 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.442 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -57.09 -52.08 66.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.495 -0.775 . . . . 0.48 110.596 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -62.81 -30.49 71.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 1.53 110.994 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -67.0 -44.09 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 4.21 110.514 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -70.48 -33.52 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.99 110.77 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 114' ' ' ALA . 91.0 mt -60.35 -47.27 93.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.57 110.649 177.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.19 -36.17 79.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 2.66 110.747 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -64.82 -52.74 55.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 2.48 110.307 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.48 -39.67 85.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 1.43 111.78 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.4 p -75.09 -18.12 60.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.739 0.304 . . . . 1.31 111.482 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.445 -0.343 . . . . 2.53 110.717 -179.288 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.724 0.297 . . . . 2.17 110.481 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.414 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 25.0 m -130.45 144.09 51.18 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.37 -0.604 . . . . 0.82 109.37 176.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HB2' HD22 ' A' ' 47' ' ' LEU . 80.5 mt -105.12 107.51 18.54 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.391 0.615 . . . . 0.39 110.347 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CE2' HD12 ' A' ' 48' ' ' ILE . 65.5 m-85 -98.31 145.04 27.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.467 -0.788 . . . . 1.3 109.609 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.9 p -138.06 123.34 24.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.497 0.665 . . . . 1.08 110.822 176.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -110.1 160.63 16.3 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.855 -1.165 . . . . 1.18 107.855 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.407 HD11 HD22 ' A' ' 34' ' ' LEU . 9.0 tt -150.19 112.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 C-N-CA 120.537 -0.465 . . . . 0.55 111.182 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 52' ' ' VAL . 1.5 tp -96.79 77.97 2.86 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.29 -1.004 . . . . 1.24 108.29 172.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -150.44 89.94 1.61 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.725 -1.125 . . . . 1.27 109.694 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.09 87.2 5.47 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.721 -1.191 . . . . 2.75 110.57 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 30.6 t70 -119.42 163.6 16.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.295 -1.32 . . . . 1.57 108.23 169.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -88.69 -32.62 17.9 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.865 -0.734 . . . . 2.93 110.901 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -90.42 -42.58 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.695 0.283 . . . . 3.44 110.829 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 1.5 tt -56.87 -47.92 79.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.873 -0.603 . . . . 1.46 110.077 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -59.35 -44.73 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.544 . . . . 0.69 111.079 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 6.8 mm-40 -61.89 -54.09 46.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.596 -0.274 . . . . 2.15 111.649 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -63.49 -33.15 74.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.64 0.257 . . . . 2.05 111.437 -177.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -45.61 70.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.72 0.295 . . . . 0.51 110.761 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -67.18 -39.25 86.4 Favored 'General case' 0 C--O 1.214 -0.767 0 C-N-CA 120.665 -0.414 . . . . 2.96 111.073 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.4 mttm -55.68 -36.17 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.859 0.361 . . . . 1.88 110.998 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -53.11 8.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.299 -0.41 . . . . 1.68 111.35 176.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.18 79.41 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.381 0.511 . . . . 0.49 112.381 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.33 -43.53 90.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.22 0.533 . . . . 2.41 109.692 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -72.06 -27.97 63.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.725 -0.67 . . . . 3.63 110.355 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.7 -0.69 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.64 -0.709 . . . . 0.66 110.859 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 m120 62.53 35.6 14.46 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.487 -0.779 . . . . 2.18 111.017 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.433 HD22 ' HB2' ' A' ' 23' ' ' LEU . 17.9 mt -92.7 154.11 18.53 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.456 -0.572 . . . . 0.59 109.456 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.43 HD12 ' CE2' ' A' ' 24' ' ' PHE . 42.7 mt -90.75 94.93 5.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.531 -0.544 . . . . 0.53 109.531 175.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 51.8 tp -87.37 118.37 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.353 -0.84 . . . . 1.14 110.832 -178.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.5 mt -110.12 100.0 9.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.188 -0.671 . . . . 0.94 109.188 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.6 m -82.71 117.37 22.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.875 -0.602 . . . . 1.17 110.913 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.501 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 3.1 m -136.08 141.42 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.732 -0.667 . . . . 1.38 110.092 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -126.83 94.2 0.41 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 119.626 -1.273 . . . . 1.24 111.947 175.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 22.4 t70 156.24 150.96 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.694 1.197 . . . . 1.98 108.436 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.75 -36.16 82.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.751 0.31 . . . . 2.21 110.996 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -80.07 -29.08 39.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.858 0.361 . . . . 2.04 110.338 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.501 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 27.7 mm-40 -64.92 -35.67 81.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.928 -0.578 . . . . 2.16 110.136 174.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.66 -35.8 81.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.288 -0.415 . . . . 0.83 110.187 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -57.41 -28.13 62.99 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.143 0.497 . . . . 2.26 111.377 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -90.2 -40.56 12.12 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.626 -0.715 . . . . 2.35 110.914 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.38 86.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.106 0.479 . . . . 0.47 110.313 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.7 mt -59.57 -47.84 89.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.48 -0.782 . . . . 0.83 110.931 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -68.11 -33.9 75.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.134 -0.484 . . . . 2.76 111.309 -175.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.1 ttpp -72.9 -38.53 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 2.11 110.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.6 91.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.087 0.47 . . . . 0.38 110.424 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.54 -44.3 80.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.345 -0.843 . . . . 1.36 111.042 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.01 -43.76 82.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.554 -0.748 . . . . 1.68 111.692 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 64' ' ' LYS . 61.3 mt -63.49 -40.21 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.009 0.433 . . . . 0.51 110.975 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.429 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -62.36 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.677 -0.692 . . . . 0.53 112.015 -174.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -72.63 -9.8 59.03 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.44 0.533 . . . . 1.5 112.44 -172.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.9 tttt . . . . . 0 C--N 1.324 -0.506 0 O-C-N 123.668 0.605 . . . . 2.71 110.925 178.005 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.359 0 CA-C-O 120.932 0.396 . . . . 0.71 110.862 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -120.69 125.24 47.17 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.057 -0.72 . . . . 1.67 109.057 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 49.1 mt -120.59 146.67 25.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.086 -0.507 . . . . 0.49 110.008 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.4 tt -120.0 129.52 54.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.624 -0.88 . . . . 1.4 108.624 175.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.605 HG22 HD22 ' A' ' 83' ' ' LEU . 96.8 mt -117.78 113.27 41.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.831 0.348 . . . . 0.38 110.091 174.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD13 ' HB1' ' A' ' 114' ' ' ALA . 69.0 mt -92.51 101.41 13.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.875 -0.602 . . . . 1.61 109.56 176.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.605 HD22 HG22 ' A' ' 81' ' ' ILE . 1.5 pt? -123.44 139.2 54.26 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.912 -0.315 . . . . 1.17 111.021 -175.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -94.86 98.59 10.84 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 119.643 -0.823 . . . . 2.04 109.285 173.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -176.53 168.79 1.31 Allowed Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 114.765 -1.107 . . . . 2.02 108.028 170.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -76.45 122.67 6.63 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.062 1.841 . . . . 0.85 110.917 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.1 t -105.03 120.13 55.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.605 -0.725 . . . . 1.17 110.817 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.4 m -91.5 158.7 40.27 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.15 -0.477 . . . . 1.44 110.055 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -49.7 -49.59 15.45 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.732 2.288 . . . . 1.14 112.459 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.693 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 4.8 mp0 -58.33 -38.81 77.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.954 -0.567 . . . . 2.43 111.395 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.45 -40.53 87.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.389 . . . . 3.78 110.166 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.82 -55.74 31.18 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.754 -0.657 . . . . 1.46 110.969 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 19.9 ptmt -70.26 -17.76 63.12 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.744 -0.662 . . . . 3.25 111.643 -174.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.693 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 34.4 mmtp -66.46 -48.61 69.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.157 0.503 . . . . 2.44 109.72 172.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.4 mt -72.38 -36.53 68.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 1.14 110.118 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.461 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 28.9 tt0 -69.98 -27.98 65.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.319 -0.855 . . . . 2.2 110.736 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -82.14 -30.75 30.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 2.87 111.027 174.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.56 -50.02 75.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.094 -0.503 . . . . 3.64 110.27 -177.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.52 121.95 46.04 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.933 -0.765 . . . . 0.6 108.933 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.83 101.15 3.66 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.525 -0.87 . . . . 1.77 109.291 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.82 -168.16 0.34 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.047 -1.433 . . . . 0.5 108.423 -176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -114.69 89.93 3.22 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.69 -0.485 . . . . 1.77 109.69 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 9.0 p -87.86 131.92 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.335 0.588 . . . . 1.05 110.301 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -104.62 99.29 8.96 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.715 -0.846 . . . . 2.71 108.715 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.8 m -77.56 130.05 36.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.166 0.507 . . . . 0.71 110.058 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' HB2' HD23 ' A' ' 82' ' ' LEU . 35.6 mmt180 -127.18 126.66 43.21 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.256 -0.429 . . . . 2.63 110.809 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 10.1 t -86.62 127.07 34.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 0.64 109.918 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.1 m -127.84 156.94 40.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.235 -0.438 . . . . 1.34 110.567 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 -20.49 1.87 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.281 -0.418 . . . . 1.22 110.866 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.5 m -143.71 147.91 40.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.605 -0.27 . . . . 0.93 111.481 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -46.41 -44.49 20.54 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.552 2.834 . . . . 0.6 114.272 -173.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.553 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -59.08 -31.68 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.425 0.528 . . . . 2.04 112.425 -174.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.39 -45.95 74.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.046 0.451 . . . . 2.21 109.943 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.502 ' HB1' HD13 ' A' ' 82' ' ' LEU . . . -58.76 -43.91 90.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.418 -0.81 . . . . 0.48 111.301 -178.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.553 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 55.5 mtmt -59.31 -35.01 73.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 1.53 111.18 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 112' ' ' ASP . 96.3 mtt180 -67.32 -47.03 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 4.21 110.853 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -63.71 -42.92 97.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.99 110.826 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.35 -42.79 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.446 . . . . 0.57 110.471 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.8 -47.2 86.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.728 -0.669 . . . . 2.66 110.914 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.28 -35.38 73.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.731 0.301 . . . . 2.48 111.338 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.41 ' CB ' HD12 ' A' ' 80' ' ' LEU . 59.0 t80 -68.42 -26.19 65.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 1.43 111.324 -176.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.7 t -78.03 -2.99 39.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.836 0.35 . . . . 1.31 110.473 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 2.53 110.998 -179.781 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.829 0.347 . . . . 2.17 110.643 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 m -91.2 147.64 22.92 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.954 -0.758 . . . . 0.82 108.954 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 121' ' ' PHE . 60.2 mt -109.43 118.6 37.06 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.351 0.596 . . . . 0.39 111.569 -173.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 79' ' ' ILE . 49.7 m-85 -112.57 145.83 39.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.346 -0.843 . . . . 1.3 109.607 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 p -145.16 130.52 13.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-O 121.635 0.731 . . . . 1.08 111.192 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 58' ' ' LEU . 6.8 mp -102.87 159.78 15.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.644 -1.162 . . . . 1.18 109.508 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.9 tt -141.92 119.84 8.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.011 0.434 . . . . 0.55 110.815 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -118.63 77.47 1.18 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.328 -0.99 . . . . 1.24 108.328 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -149.12 88.94 1.62 Allowed 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.254 -1.387 . . . . 1.27 107.254 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -85.48 89.24 7.64 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 118.172 -1.411 . . . . 2.75 111.045 -169.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.617 ' OD2' ' HG2' ' A' ' 33' ' ' LYS . 6.0 t70 -117.42 138.79 51.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.667 -1.151 . . . . 1.57 108.152 162.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -54.76 -47.49 73.81 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.528 0.566 . . . . 2.93 112.528 -172.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.617 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 63.2 pttt -78.43 -31.15 47.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.922 0.391 . . . . 3.44 110.679 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.774 HD13 ' HA ' ' A' ' 111' ' ' PRO . 12.2 tp -66.32 -42.44 88.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.344 -0.389 . . . . 1.46 110.623 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.405 HG23 HG21 ' A' ' 51' ' ' THR . 45.0 mt -60.53 -40.49 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.69 111.579 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.6 pt-20 -77.2 -44.7 29.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.44 -0.504 . . . . 2.15 111.194 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.626 ' HA ' ' CG ' ' A' ' 40' ' ' LYS . 37.3 mm-40 -65.82 -30.34 70.95 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.945 0.35 . . . . 2.05 111.945 -176.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.63 96.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.945 0.402 . . . . 0.51 110.005 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -74.33 -34.56 63.47 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.271 -0.422 . . . . 2.96 110.685 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 33.0 mmtp -52.68 -42.76 65.05 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.533 0.682 . . . . 1.88 109.383 176.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 tpt -72.26 -52.5 16.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.802 -1.09 . . . . 1.68 111.492 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.28 -37.11 53.59 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.624 0.602 . . . . 0.49 112.624 -172.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.24 -46.6 86.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.272 0.558 . . . . 2.41 109.562 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -65.82 -28.87 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.5 -0.773 . . . . 3.63 110.249 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.18 -0.28 39.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.66 111.122 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 67.36 34.3 4.87 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.723 -0.672 . . . . 2.18 111.258 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -102.16 166.06 10.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.985 -0.746 . . . . 0.59 108.985 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -98.62 96.72 5.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.171 0.51 . . . . 0.53 109.752 174.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.402 ' CD1' HG23 ' A' ' 51' ' ' THR . 3.3 tm? -87.03 123.09 31.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.4 -0.818 . . . . 1.14 109.501 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.8 mt -113.71 114.53 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.94 110.57 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.405 HG21 HG23 ' A' ' 35' ' ' ILE . 7.6 p -93.99 125.83 38.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.193 -0.458 . . . . 1.17 111.091 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.6 m -134.52 146.82 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.42 -0.355 . . . . 1.38 110.508 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -122.57 94.48 0.52 Allowed Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.959 -1.115 . . . . 1.24 111.619 173.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 15.7 t70 140.78 141.82 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.207 1.803 . . . . 1.98 107.505 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -72.39 -22.14 61.17 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.877 0.37 . . . . 2.21 111.149 -173.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.472 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 10.5 mm-40 -83.74 -27.81 28.65 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.713 -0.477 . . . . 2.04 109.713 177.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -31.49 70.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 2.16 109.885 170.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.539 ' O ' HG13 ' A' ' 62' ' ' ILE . 23.9 tp -61.07 -40.37 93.42 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.83 109.591 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 43.1 mmtm -56.96 -33.16 66.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.466 0.651 . . . . 2.26 110.714 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.3 mmmt -79.69 -39.15 31.93 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.931 -1.032 . . . . 2.35 110.624 -176.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.02 81.25 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.47 110.106 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 58' ' ' LEU . 98.8 mt -60.36 -52.68 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 0.83 110.624 176.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 62.4 tttm -69.76 -32.19 70.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.495 -0.32 . . . . 2.76 110.633 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 68' ' ' ILE . 38.9 ttpt -64.62 -41.26 96.31 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.164 -0.31 . . . . 2.11 110.164 177.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.29 98.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.918 0.39 . . . . 0.38 109.975 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.506 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 9.0 t70 -54.81 -52.94 61.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.362 -0.836 . . . . 1.36 110.474 174.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.77 -47.63 84.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.578 -0.737 . . . . 1.68 112.105 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 64' ' ' LYS . 75.3 mt -66.97 -36.05 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.82 0.343 . . . . 0.51 111.128 -177.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.04 -63.62 1.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 0.53 111.767 -176.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 14.3 ptpt -69.75 -10.81 59.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.651 0.611 . . . . 1.5 112.651 -173.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? . . . . . 0 C--N 1.325 -0.484 0 O-C-N 123.931 0.77 . . . . 2.71 110.406 -177.541 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.24 0 CA-C-O 121.132 0.492 . . . . 0.71 111.846 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -106.07 122.94 47.2 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.206 -1.035 . . . . 1.67 108.206 169.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 41.8 mt -127.62 134.16 66.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 110.127 -0.323 . . . . 0.49 110.127 -177.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.447 HD13 ' CG ' ' A' ' 121' ' ' PHE . 7.4 mp -109.91 139.79 44.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.799 0.333 . . . . 1.4 110.287 171.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.517 HG22 HD22 ' A' ' 83' ' ' LEU . 82.5 mt -116.82 106.22 19.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 108.677 -0.86 . . . . 0.38 108.677 172.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -91.0 98.71 11.94 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.604 -0.517 . . . . 1.61 109.604 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.627 ' H ' HD23 ' A' ' 83' ' ' LEU . 1.5 pt? -128.13 147.22 50.54 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.177 -0.465 . . . . 1.17 110.756 -174.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -97.86 98.53 9.9 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 119.604 -0.838 . . . . 2.04 109.829 174.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -174.62 163.94 2.52 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 114.63 -1.168 . . . . 2.02 108.851 170.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.84 119.42 6.45 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.215 1.943 . . . . 0.85 111.23 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.424 HG22 ' HB ' ' A' ' 107' ' ' THR . 28.4 m -131.07 120.37 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 1.17 111.47 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -88.5 153.07 50.39 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.529 -0.76 . . . . 1.44 109.911 176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.44 -30.12 62.3 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.317 2.011 . . . . 1.14 111.355 171.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -68.06 -40.31 82.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.578 -0.737 . . . . 2.43 109.654 175.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -67.63 -39.51 84.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.173 -0.921 . . . . 3.78 109.868 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.2 -38.04 75.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.843 -0.617 . . . . 1.46 110.728 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -59.59 -29.4 67.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.374 -0.376 . . . . 3.25 111.293 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -64.18 -46.04 85.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.066 0.46 . . . . 2.44 110.214 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.5 -33.36 36.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.947 -0.57 . . . . 1.14 110.589 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.412 ' HB2' HG12 ' A' ' 103' ' ' VAL . 10.0 tt0 -68.85 -30.8 69.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.569 . . . . 2.2 110.272 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -81.7 -26.18 34.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.09 -0.504 . . . . 2.87 110.822 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -68.31 -50.7 51.66 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.34 0.59 . . . . 3.64 110.273 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -108.14 119.31 39.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.405 -0.961 . . . . 0.6 108.405 173.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -76.14 103.03 5.98 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 122.024 0.916 . . . . 1.77 110.077 -173.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -173.77 -168.31 0.42 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 113.481 -1.691 . . . . 0.5 106.954 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -109.38 89.11 2.9 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 109.183 -0.673 . . . . 1.77 109.183 172.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.603 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.8 p -87.4 137.33 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.411 0.624 . . . . 1.05 109.713 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -120.75 99.38 6.5 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.171 -0.922 . . . . 2.71 108.623 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.52 128.17 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 109.61 -0.515 . . . . 0.71 109.61 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 106' ' ' ARG . 4.4 mmp_? -117.12 117.23 29.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.417 -0.356 . . . . 2.63 110.177 -176.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 3.9 t -85.36 99.54 11.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.739 0.78 . . . . 0.64 110.191 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.57 151.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.483 -0.781 . . . . 1.34 111.082 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -133.59 3.55 3.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.374 0.607 . . . . 1.22 110.309 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.0 m -155.36 148.71 18.48 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.753 -0.658 . . . . 0.93 109.462 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.774 ' HA ' HD13 ' A' ' 34' ' ' LEU . 23.0 Cg_exo -64.97 -25.3 59.53 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.018 2.478 . . . . 0.6 113.323 -175.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -78.28 -31.49 49.01 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.99 -0.284 . . . . 2.04 111.243 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.69 -42.94 98.15 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.773 -0.455 . . . . 2.21 109.773 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.58 -51.67 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.426 -0.806 . . . . 0.48 111.134 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.16 -36.61 82.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.986 -0.552 . . . . 1.53 110.809 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -68.33 -41.52 80.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 4.21 111.194 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -67.65 -40.85 84.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.677 0.275 . . . . 0.99 110.762 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.36 -39.8 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 0.57 109.961 174.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -58.95 -46.84 87.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.783 -0.644 . . . . 2.66 111.23 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -70.1 -27.5 64.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.238 0.542 . . . . 2.48 110.426 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 23' ' ' LEU . 11.2 t80 -75.86 -44.95 38.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.672 -0.695 . . . . 1.43 111.621 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.6 m -66.32 -26.53 67.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.25 -0.432 . . . . 1.31 111.787 -174.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.477 -0.329 . . . . 2.53 111.101 -176.099 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.698 0.285 . . . . 2.17 110.292 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -113.27 134.33 54.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.596 -0.274 . . . . 0.82 110.292 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HB2' HD22 ' A' ' 47' ' ' LEU . 86.4 mt -114.58 119.16 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.062 0.458 . . . . 0.39 110.616 -177.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 47.4 m-85 -104.31 152.27 22.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.075 -0.511 . . . . 1.3 110.163 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.6 p -142.09 122.81 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.661 0.743 . . . . 1.08 110.811 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 58' ' ' LEU . 7.4 mp -111.39 158.93 18.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.159 -0.928 . . . . 1.18 108.762 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.9 tt -150.51 112.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 C-N-CA 120.85 -0.34 . . . . 0.55 111.194 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD11 HD22 ' A' ' 58' ' ' LEU . 26.9 mt -92.99 79.38 4.61 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.416 -0.957 . . . . 1.24 108.416 173.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 m -150.28 138.86 20.64 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.058 -0.973 . . . . 1.27 109.721 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -119.17 86.11 2.49 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.453 -1.299 . . . . 2.75 109.743 165.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.3 t70 -120.19 141.38 49.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.602 -1.181 . . . . 1.57 109.311 168.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -60.8 -55.44 33.09 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 118.377 0.535 . . . . 2.93 111.673 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 87.8 tttt -70.58 -46.81 62.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.464 . . . . 3.44 111.417 -173.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 111' ' ' PRO . 18.4 tp -57.15 -41.99 80.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 1.46 111.872 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mt -61.29 -33.35 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.875 0.369 . . . . 0.69 110.931 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 42.2 mt-10 -74.48 -47.79 31.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.364 -0.38 . . . . 2.15 110.067 174.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG3' ' HB3' ' A' ' 111' ' ' PRO . 32.9 mm-40 -55.95 -41.0 74.03 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.247 -0.433 . . . . 2.05 111.336 -178.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.52 -47.77 84.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.866 -0.606 . . . . 0.51 110.91 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -69.88 -36.76 75.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.41 -0.359 . . . . 2.96 110.936 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.2 mttm -51.9 -40.46 60.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 1.88 110.873 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.2 mmm -83.9 -45.98 12.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 1.68 111.383 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.06 72.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.205 0.446 . . . . 0.49 112.205 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.52 -46.43 86.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.448 -0.945 . . . . 2.41 108.448 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.69 -35.09 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.095 -0.957 . . . . 3.63 110.788 177.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -79.89 -5.0 54.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.881 -0.6 . . . . 0.66 111.229 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 62.61 45.06 6.34 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.282 -0.872 . . . . 2.18 110.365 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.503 HD22 ' HB2' ' A' ' 23' ' ' LEU . 19.1 mt -100.98 168.75 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.221 -0.899 . . . . 0.59 109.534 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.455 HD12 ' CE1' ' A' ' 24' ' ' PHE . 50.7 mt -100.82 104.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.872 -0.418 . . . . 0.53 109.872 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 41.1 tp -95.94 124.05 39.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.019 -0.537 . . . . 1.14 111.186 -176.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.49 109.9 27.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.477 -0.564 . . . . 0.94 109.477 173.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 m -89.66 101.1 13.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.06 -0.518 . . . . 1.17 110.948 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 7.6 m -122.78 141.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.954 -0.566 . . . . 1.38 110.255 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.607 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -120.53 96.17 0.6 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 119.874 -1.155 . . . . 1.24 112.219 177.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 16.4 t70 155.51 151.48 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.734 1.214 . . . . 1.98 108.417 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -71.81 -28.36 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 2.21 110.715 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 29.3 mm-40 -86.51 -34.41 20.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.897 -0.409 . . . . 2.04 109.897 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 22.1 mm-40 -64.13 -32.01 73.41 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.817 -0.438 . . . . 2.16 109.817 173.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.515 HD12 HD23 ' A' ' 26' ' ' LEU . 53.3 tp -55.58 -45.46 77.35 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.339 -0.615 . . . . 0.83 109.339 172.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.39 -18.13 64.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.528 -0.76 . . . . 2.26 111.85 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 64.5 mmtt -90.2 -37.03 14.42 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.781 -0.645 . . . . 2.35 110.439 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.81 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.098 -0.705 . . . . 0.47 109.098 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.671 HG23 ' HB2' ' A' ' 99' ' ' ALA . 40.5 mt -59.76 -41.87 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.924 -1.034 . . . . 0.83 110.554 173.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -60.13 -46.1 90.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 2.76 111.123 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' HG13 ' A' ' 68' ' ' ILE . 18.3 ptpt -73.71 -33.93 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.923 -0.311 . . . . 2.11 110.87 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.77 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.38 110.429 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.625 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 1.4 t70 -59.47 -41.03 88.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.384 -0.826 . . . . 1.36 110.515 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.3 -49.79 65.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 1.68 111.656 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 64' ' ' LYS . 96.1 mt -60.51 -46.0 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.51 110.923 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.598 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -63.15 -56.74 14.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.53 111.635 -177.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.559 ' HD2' ' HB2' ' A' ' 100' ' ' ASP . 49.8 mtpt -76.73 -12.78 60.04 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 112.691 0.626 . . . . 1.5 112.691 -170.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? . . . . . 0 C--N 1.313 -0.987 0 N-CA-C 109.102 -0.703 . . . . 2.71 109.102 173.874 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.353 -0.239 . . . . 0.71 110.353 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.517 ' HE2' ' OE1' ' A' ' 102' ' ' GLU . 89.1 mttt -135.42 143.26 45.87 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.198 -0.297 . . . . 1.67 110.198 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.485 ' HB ' HG22 ' A' ' 103' ' ' VAL . 62.4 mt -131.09 117.82 38.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.299 -0.41 . . . . 0.49 110.138 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 104' ' ' ARG . 33.0 tp -95.3 112.49 24.19 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.87 -0.418 . . . . 1.4 109.87 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.642 HG22 HD22 ' A' ' 83' ' ' LEU . 73.2 mt -102.08 117.6 47.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.596 -0.441 . . . . 0.38 109.835 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 82.3 mt -101.43 119.34 38.61 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.681 -0.489 . . . . 1.61 109.681 175.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -139.98 138.95 35.93 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.421 -0.354 . . . . 1.17 110.178 -177.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -87.06 98.04 11.06 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.393 -0.923 . . . . 2.04 109.485 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -176.21 162.01 1.86 Allowed Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 114.658 -1.156 . . . . 2.02 108.021 168.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -63.3 119.29 6.3 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 121.3 1.334 . . . . 0.85 109.811 167.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 m -99.2 141.74 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.268 0.556 . . . . 1.17 111.629 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.9 m -95.03 127.48 42.67 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.424 -0.807 . . . . 1.44 109.694 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -58.33 -30.49 91.25 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.141 2.561 . . . . 1.14 112.834 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.07 -36.06 72.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.047 0.451 . . . . 2.43 110.288 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -67.25 -28.68 68.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.816 -0.629 . . . . 3.78 110.152 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.51 -38.65 91.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 1.46 110.44 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -72.48 -33.45 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.24 -0.652 . . . . 3.25 109.24 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.568 ' HE3' ' OH ' ' A' ' 98' ' ' TYR . 59.0 tttp -65.66 -33.67 76.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.19 -0.913 . . . . 2.44 109.932 176.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.572 HD12 HG11 ' A' ' 105' ' ' VAL . 78.7 mt -75.94 -42.91 47.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.14 111.633 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.56 HE21 ' C ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -77.06 -4.08 42.46 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.591 -0.843 . . . . 2.2 110.208 174.384 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -80.69 -28.74 36.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 2.87 110.159 169.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.568 ' OH ' ' HE3' ' A' ' 94' ' ' LYS . 19.5 m-85 -75.52 -51.08 13.78 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.178 0.513 . . . . 3.64 110.299 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 62' ' ' ILE . . . -108.68 131.8 54.56 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 115.717 -0.674 . . . . 0.6 109.468 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.559 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 13.2 m-20 -83.06 99.67 10.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.388 1.089 . . . . 1.77 109.553 -177.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -173.93 173.61 3.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 112.662 -2.063 . . . . 0.5 106.378 176.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.517 ' OE1' ' HE2' ' A' ' 78' ' ' LYS . 6.5 mt-10 -87.58 91.1 8.62 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 118.884 -1.127 . . . . 1.77 108.608 173.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.551 ' H ' ' HB3' ' A' ' 96' ' ' GLN . 40.7 t -81.07 114.93 22.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.507 -0.769 . . . . 1.05 109.895 -178.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.473 ' O ' HD12 ' A' ' 80' ' ' LEU . 33.0 mtp180 -108.77 110.83 22.31 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.531 -0.914 . . . . 2.71 108.531 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.572 HG11 HD12 ' A' ' 95' ' ' LEU . 5.1 m -106.01 126.38 61.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.41 0.624 . . . . 0.71 110.646 -172.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 49.4 mmt-85 -125.29 147.95 48.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.857 -0.61 . . . . 2.63 110.96 -174.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.649 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 14.5 t -86.42 136.48 33.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.746 -0.661 . . . . 0.64 110.168 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 p -127.05 109.26 20.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.234 0.54 . . . . 1.34 111.034 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -100.39 -17.99 16.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.046 -0.525 . . . . 1.22 111.397 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.7 m -138.34 151.61 69.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.446 . . . . 0.93 110.767 -177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.689 ' HA ' HD13 ' A' ' 34' ' ' LEU . 72.7 Cg_exo -49.21 -44.92 31.84 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.612 2.208 . . . . 0.6 112.413 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.524 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 14.5 t70 -59.37 -40.22 85.81 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.838 -0.619 . . . . 2.04 111.667 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -55.11 -44.61 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.347 0.404 . . . . 2.21 111.294 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.34 98.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.48 110.79 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -62.02 -30.79 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 1.53 110.734 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 112' ' ' ASP . 23.4 mmt180 -68.79 -54.57 15.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 4.21 110.656 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -63.44 -37.08 85.89 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.174 -0.467 . . . . 0.99 111.394 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.42 -41.86 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.57 110.489 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -60.73 -46.73 89.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 2.66 110.02 178.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.24 -45.05 96.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.666 -0.697 . . . . 2.48 110.588 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 56.7 t80 -61.75 -37.76 85.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.627 -0.715 . . . . 1.43 111.432 -176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.6 t -69.55 -20.84 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.238 -0.437 . . . . 1.31 110.966 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 119' ' ' LYS . 57.1 mm-40 . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.316 . . . . 2.53 110.714 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.527 0.204 . . . . 2.17 110.591 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.4 m -125.46 146.95 49.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.144 -0.687 . . . . 0.82 109.144 172.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' CB ' HD22 ' A' ' 47' ' ' LEU . 84.5 mt -110.08 114.93 28.85 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.234 0.54 . . . . 0.39 111.075 -176.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CE1' HD12 ' A' ' 48' ' ' ILE . 52.5 m-85 -111.17 157.94 19.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.65 -0.705 . . . . 1.3 109.712 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.6 p -148.17 120.12 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.506 0.669 . . . . 1.08 111.371 176.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.57 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -103.14 163.53 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.242 -0.89 . . . . 1.18 108.917 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.549 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.7 tt -149.9 126.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 121.153 -0.219 . . . . 0.55 111.576 -178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD11 HD13 ' A' ' 58' ' ' LEU . 6.7 mp -112.89 80.46 1.35 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.319 0.581 . . . . 1.24 109.499 172.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -150.53 115.84 5.41 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.268 -1.012 . . . . 1.27 108.268 171.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.52 86.75 7.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 117.588 -1.645 . . . . 2.75 110.08 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.645 ' O ' HD13 ' A' ' 35' ' ' ILE . 22.8 t70 -120.75 163.84 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 113.985 -1.461 . . . . 1.57 108.206 166.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 43.2 mttm -91.29 -40.68 11.36 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.935 -0.706 . . . . 2.93 111.453 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -37.72 21.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.515 -0.311 . . . . 3.44 111.238 -174.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.04 -37.18 73.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.97 0.414 . . . . 1.46 110.039 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.645 HD13 ' O ' ' A' ' 31' ' ' ASP . 1.7 mp -64.98 -43.71 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.834 -0.621 . . . . 0.69 110.618 177.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 54.6 mt-10 -65.09 -49.02 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 2.15 110.573 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -54.98 -41.97 71.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 2.05 111.142 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.68 72.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.546 . . . . 0.51 111.028 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 58.9 ttt180 -72.46 -29.85 64.04 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 111.918 0.34 . . . . 2.96 111.918 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 67.5 mttm -64.31 -32.7 74.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.918 -0.489 . . . . 1.88 110.658 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.2 mmt -81.63 -46.57 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 1.68 110.625 174.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -64.1 -39.45 94.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 0.49 112.084 -178.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 10.1 mt-10 -60.86 -43.18 98.71 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.34 0.59 . . . . 2.41 109.794 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.29 -35.3 79.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.185 -0.916 . . . . 3.63 110.226 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -82.21 0.75 39.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.986 -0.552 . . . . 0.66 111.721 -178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.4 t30 64.81 36.41 7.95 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.583 0.706 . . . . 2.18 110.743 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.452 HD22 ' CB ' ' A' ' 23' ' ' LEU . 12.6 mt -99.87 168.61 9.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.791 -0.64 . . . . 0.59 109.964 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 24' ' ' PHE . 44.3 mt -106.36 101.57 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.142 -0.481 . . . . 0.53 109.913 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.512 ' HA ' HG13 ' A' ' 25' ' ' VAL . 3.5 tm? -90.54 118.3 29.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.849 -0.614 . . . . 1.14 110.241 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.57 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 63.5 mt -121.39 120.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.164 -0.471 . . . . 0.94 110.343 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.2 p -82.53 130.75 35.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.088 -0.506 . . . . 1.17 110.108 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.72 157.08 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.222 0.534 . . . . 1.38 111.891 -173.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.1 -164.38 37.24 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.183 -0.917 . . . . 1.24 112.883 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -44.16 166.69 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.516 1.302 . . . . 1.98 114.516 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 58' ' ' LEU . 30.5 mt-10 -39.77 -45.35 1.73 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.157 1.169 . . . . 2.21 114.157 -173.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 8.1 mm-40 -64.64 -40.09 94.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.125 0.488 . . . . 2.04 111.108 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.29 -35.22 75.8 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.482 -0.562 . . . . 2.16 109.482 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.545 HD13 HD11 ' A' ' 28' ' ' LEU . 51.4 tp -57.97 -37.17 73.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.624 -0.716 . . . . 0.83 110.518 174.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 52.8 mttp -53.01 -36.69 60.77 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.602 0.715 . . . . 2.26 110.925 176.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 45.7 mttp -82.95 -35.3 26.12 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.961 -1.018 . . . . 2.35 111.058 -176.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.64 -38.09 80.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.165 0.507 . . . . 0.47 110.207 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CG2' ' HB2' ' A' ' 99' ' ' ALA . 75.3 mt -63.41 -42.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.488 -0.778 . . . . 0.83 110.207 175.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -69.78 -29.39 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 2.76 110.303 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 67.3 mttm -62.54 -51.78 66.02 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.852 -0.425 . . . . 2.11 109.852 172.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -47.3 86.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.808 -0.633 . . . . 0.38 110.891 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.641 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 6.4 t70 -59.1 -41.65 88.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.787 -0.642 . . . . 1.36 110.963 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.89 -45.25 86.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.525 -0.307 . . . . 1.68 111.181 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 64' ' ' LYS . 81.5 mt -62.34 -34.08 62.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.22 0.533 . . . . 0.51 110.082 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.1 -48.28 68.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.731 -0.668 . . . . 0.53 110.642 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 73.1 mmtt -52.4 -34.87 50.16 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 112.151 0.426 . . . . 1.5 112.151 -177.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? . . . . . 0 C--N 1.325 -0.475 0 O-C-N 123.822 0.701 . . . . 2.71 109.84 178.142 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.342 0 N-CA-C 110.048 -0.353 . . . . 0.71 110.048 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -126.86 136.79 52.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.949 0.404 . . . . 1.67 109.991 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 54.1 mt -127.63 141.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.078 -0.51 . . . . 0.49 110.046 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.2 tt -113.88 132.75 55.8 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.59 -0.892 . . . . 1.4 108.59 175.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.53 106.31 19.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.959 -0.386 . . . . 0.38 109.959 175.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 96.0 mt -92.06 98.48 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.102 0.477 . . . . 1.61 109.963 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.603 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -119.43 179.15 4.29 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 109.581 -0.525 . . . . 1.17 109.581 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -122.32 99.86 6.64 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.599 -0.84 . . . . 2.04 110.033 170.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.422 ' HG2' HD13 ' A' ' 83' ' ' LEU . 18.7 ptmt -177.72 145.41 0.56 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.817 -1.083 . . . . 2.02 108.458 171.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -65.58 119.12 6.09 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 121.738 1.625 . . . . 0.85 111.336 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.7 m -123.02 123.04 67.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.432 0.634 . . . . 1.17 111.751 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.4 m -88.6 160.47 44.5 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.576 -0.738 . . . . 1.44 110.394 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -42.35 -44.75 7.97 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.813 3.008 . . . . 1.14 114.632 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.22 -38.43 79.93 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.737 0.303 . . . . 2.43 111.564 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -63.92 -33.71 76.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.345 -0.389 . . . . 3.78 110.753 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.2 -35.44 77.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.25 -0.432 . . . . 1.46 110.832 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -69.27 -25.26 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.503 . . . . 3.25 110.269 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -65.38 -50.36 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.316 -0.624 . . . . 2.44 109.316 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.86 -34.38 64.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.625 -0.716 . . . . 1.14 110.384 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -70.31 -22.67 62.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.811 -0.632 . . . . 2.2 110.658 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -80.4 -26.76 38.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.146 -0.479 . . . . 2.87 111.641 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -69.55 -31.4 69.58 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.049 0.388 . . . . 3.64 112.049 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -120.19 154.13 35.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.983 -0.377 . . . . 0.6 109.983 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -91.21 96.98 10.85 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.67 -1.212 . . . . 1.77 108.353 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.17 173.43 2.19 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.833 -1.53 . . . . 0.5 108.377 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -98.74 91.53 5.14 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.962 -0.755 . . . . 1.77 108.962 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 5.5 p -85.51 135.6 24.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.273 0.558 . . . . 1.05 110.233 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -113.58 99.22 7.57 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.611 -0.885 . . . . 2.71 108.611 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.676 ' O ' ' HD2' ' A' ' 106' ' ' ARG . 33.5 m -76.62 129.52 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.368 -0.378 . . . . 0.71 110.544 -174.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.676 ' HD2' ' O ' ' A' ' 105' ' ' VAL . 1.9 mpt_? -131.35 143.19 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.511 -0.313 . . . . 2.63 110.796 -177.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 9.8 t -109.95 127.45 54.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.251 0.548 . . . . 0.64 110.188 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.1 m -127.98 147.97 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.915 -0.584 . . . . 1.34 110.905 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.9 p -118.36 -31.5 4.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.946 -0.57 . . . . 1.22 110.434 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 32.6 m -118.68 141.7 30.39 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.93 110.335 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 110' ' ' SER . 37.8 Cg_exo -58.33 -18.9 40.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.487 2.791 . . . . 0.6 114.311 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.02 -29.77 55.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.098 -0.376 . . . . 2.04 110.38 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.28 -41.35 94.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.503 . . . . 2.21 109.803 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -56.44 -46.79 80.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.356 -0.838 . . . . 0.48 110.527 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -61.14 -35.82 78.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.724 -0.671 . . . . 1.53 110.999 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.36 -52.36 62.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 4.21 110.925 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -64.06 -40.23 95.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.99 111.449 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 114' ' ' ALA . 87.1 mt -60.34 -42.9 92.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.636 0.255 . . . . 0.57 111.225 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.4 -38.74 90.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 2.66 110.846 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -72.6 -22.75 60.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.291 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -89.79 -31.26 17.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.973 -0.558 . . . . 1.43 111.352 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.5 p -76.93 -59.16 2.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.319 -0.4 . . . . 1.31 111.019 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--N 1.323 -0.578 0 CA-C-O 121.348 0.594 . . . . 2.53 111.108 -177.425 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.862 0.363 . . . . 2.17 110.376 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.6 m -92.3 135.95 33.6 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.987 -0.745 . . . . 0.82 108.987 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -103.34 119.4 38.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.283 0.563 . . . . 0.39 111.183 -174.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -108.96 141.32 41.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.366 -0.833 . . . . 1.3 109.898 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 4.2 p -128.53 125.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.596 0.712 . . . . 1.08 110.512 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -111.16 157.22 20.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.158 -0.928 . . . . 1.18 108.961 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.6 tt -150.8 129.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.565 0.58 . . . . 0.55 112.565 -173.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.449 HD11 HD13 ' A' ' 58' ' ' LEU . 5.1 mp -119.71 79.05 1.38 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.505 -0.924 . . . . 1.24 108.505 166.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -149.47 89.75 1.66 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.812 -0.631 . . . . 1.27 109.433 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -85.05 86.56 7.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.393 -1.323 . . . . 2.75 110.594 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.443 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 8.6 m-20 -119.8 146.08 46.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.59 -1.186 . . . . 1.57 108.291 164.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 30.0 mmmt -71.02 -36.27 72.34 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.455 -0.498 . . . . 2.93 110.524 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -76.18 -47.71 23.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 3.44 110.972 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.57 ' CD2' ' HA ' ' A' ' 111' ' ' PRO . 1.9 tm? -59.33 -47.78 84.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.836 -0.62 . . . . 1.46 110.945 -175.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.4 mt -59.29 -39.53 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.597 -0.274 . . . . 0.69 111.224 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 65.7 mm-40 -60.85 -64.4 0.97 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.616 -0.265 . . . . 2.15 110.755 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.67 -34.23 74.01 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.448 -0.342 . . . . 2.05 111.503 -175.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.4 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 0.51 110.898 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -68.8 -36.84 78.75 Favored 'General case' 0 C--O 1.212 -0.918 0 C-N-CA 120.514 -0.475 . . . . 2.96 110.824 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.61 -35.76 80.6 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.874 -0.33 . . . . 1.88 110.883 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.9 mmt -76.54 -46.44 26.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.597 -0.274 . . . . 1.68 110.913 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.56 78.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.711 0.291 . . . . 0.49 111.333 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.54 -44.68 95.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.771 0.795 . . . . 2.41 108.959 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -65.92 -38.05 87.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.438 -1.256 . . . . 3.63 110.068 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.43 3.04 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.678 -0.692 . . . . 0.66 111.471 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.4 m120 58.33 36.86 25.85 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.263 -0.88 . . . . 2.18 111.419 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.422 HD12 HG23 ' A' ' 118' ' ' ILE . 56.6 mt -97.25 140.91 31.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.853 -0.612 . . . . 0.59 109.351 177.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.39 101.45 7.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.789 -0.448 . . . . 0.53 109.789 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 41.0 tp -88.3 127.21 35.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 1.14 111.093 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -116.19 99.57 8.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.197 -0.668 . . . . 0.94 109.197 173.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 m -77.33 124.66 28.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.886 -0.597 . . . . 1.17 110.355 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 61' ' ' ALA . 12.9 m -133.85 -175.76 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.18 -0.464 . . . . 1.38 110.971 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 54' ' ' ASP . . . -152.85 99.58 0.19 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.945 -0.645 . . . . 1.24 111.999 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 53' ' ' GLY . 21.6 t70 102.75 155.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.273 1.429 . . . . 1.98 111.236 174.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.18 -47.24 65.64 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.171 0.434 . . . . 2.21 112.171 -172.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.483 ' O ' ' HE3' ' A' ' 60' ' ' LYS . 15.0 mm-40 -60.73 -34.9 75.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.93 0.395 . . . . 2.04 110.617 -178.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -76.25 -27.37 56.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.677 -0.692 . . . . 2.16 110.916 177.323 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.655 ' O ' HG13 ' A' ' 62' ' ' ILE . 65.0 tp -74.59 -36.63 63.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.469 -0.332 . . . . 0.83 110.56 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.89 -55.42 35.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.926 0.393 . . . . 2.26 112.0 -176.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HE3' ' O ' ' A' ' 56' ' ' GLU . 14.4 ptpt -55.63 -30.66 61.32 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.49 -0.777 . . . . 2.35 111.685 174.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.509 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -74.55 -45.89 42.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.398 0.142 . . . . 0.47 111.081 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.655 HG13 ' O ' ' A' ' 58' ' ' LEU . 22.1 mt -60.63 -41.13 86.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.419 0.628 . . . . 0.83 109.354 176.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -60.44 -42.08 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.151 -0.931 . . . . 2.76 110.316 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -69.44 -37.22 77.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 2.11 111.112 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.87 72.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.946 0.403 . . . . 0.38 110.397 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.45 -32.54 73.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.992 -0.549 . . . . 1.36 110.665 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 14.4 t70 -60.33 -51.22 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.711 . . . . 1.68 110.685 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.36 -35.99 73.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.51 110.244 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.17 -61.19 2.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.669 -0.696 . . . . 0.53 111.142 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -72.89 -12.58 61.02 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.347 0.499 . . . . 1.5 112.347 -177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 2.6 tppp? . . . . . 0 C--N 1.322 -0.618 0 O-C-N 123.464 0.477 . . . . 2.71 110.439 -176.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.372 0.606 . . . . 0.71 112.075 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -113.55 133.13 55.43 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.212 -1.033 . . . . 1.67 108.212 174.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.49 ' HB ' HG23 ' A' ' 103' ' ' VAL . 63.9 mt -128.7 140.58 48.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.805 0.336 . . . . 0.49 110.591 -174.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.39 134.45 52.3 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.063 -0.717 . . . . 1.4 109.063 177.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.439 HD13 HD21 ' A' ' 58' ' ' LEU . 96.4 mt -118.45 101.9 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.796 0.331 . . . . 0.38 110.16 175.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 99.3 mt -93.79 101.21 13.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 1.61 110.465 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -126.79 157.66 38.63 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 121.128 -0.229 . . . . 1.17 111.002 -179.414 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 2.0 tm-20 -98.07 101.5 13.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.062 -1.088 . . . . 2.04 108.062 170.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 63.8 mttm -171.42 151.66 3.07 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 114.775 -1.102 . . . . 2.02 108.302 -177.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.2 117.82 4.51 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.677 1.585 . . . . 0.85 109.906 167.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.6 m -124.33 139.04 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.137 0.494 . . . . 1.17 111.905 -174.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.9 p -101.21 160.0 27.86 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.693 -0.685 . . . . 1.44 110.322 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.3 -31.98 86.53 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.325 2.016 . . . . 1.14 111.572 173.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.92 -47.96 84.02 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.611 -0.722 . . . . 2.43 110.736 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -65.36 -36.49 84.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 3.78 110.324 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.09 -44.4 94.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.209 -0.451 . . . . 1.46 110.204 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.15 -33.46 75.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.503 . . . . 3.25 110.47 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.57 -40.78 97.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 2.44 110.707 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.94 -33.78 39.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.296 -0.411 . . . . 1.14 110.649 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.93 -34.73 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.445 -0.576 . . . . 2.2 109.445 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? -80.93 -20.83 41.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 2.87 111.349 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -66.29 -50.62 63.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 3.64 110.179 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.412 ' CB ' HG22 ' A' ' 62' ' ' ILE . . . -112.87 132.32 55.35 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.577 -0.527 . . . . 0.6 109.577 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.82 100.34 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.708 0.766 . . . . 1.77 109.697 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.97 -175.09 0.7 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.154 -1.384 . . . . 0.5 107.839 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -111.12 89.0 2.92 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.45 -0.574 . . . . 1.77 109.45 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.49 HG23 ' HB ' ' A' ' 79' ' ' ILE . 3.3 p -90.47 141.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.393 0.616 . . . . 1.05 110.016 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -124.47 107.46 11.11 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.445 -0.946 . . . . 2.71 108.445 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.8 m -82.22 139.77 17.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.43 -0.508 . . . . 0.71 109.987 -174.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.439 ' HB2' HD23 ' A' ' 82' ' ' LEU . 34.7 mmt180 -136.73 140.19 42.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.884 0.373 . . . . 2.63 110.688 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 8.8 t -95.11 131.86 40.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.015 -0.539 . . . . 0.64 109.869 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' A' ' 114' ' ' ALA . 3.9 p -129.21 125.16 61.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.129 -0.487 . . . . 1.34 111.154 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.3 p -119.3 -2.03 10.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.22 -0.446 . . . . 1.22 111.129 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.0 m -154.63 147.34 17.81 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-N 116.784 -0.189 . . . . 0.93 111.247 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 32.5 Cg_exo -38.52 -53.99 1.65 Allowed 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 123.972 3.115 . . . . 0.6 114.602 176.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 41.1 m-20 -57.55 -38.33 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 2.04 111.991 -173.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.09 -47.71 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 2.21 110.372 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' A' ' 108' ' ' VAL . . . -60.86 -44.21 97.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.898 -0.592 . . . . 0.48 110.523 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -62.55 -29.51 70.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 1.53 111.152 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 112' ' ' ASP . 63.7 mtt180 -67.09 -53.14 33.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.485 -0.325 . . . . 4.21 110.41 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -65.58 -44.67 85.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.945 -0.571 . . . . 0.99 111.157 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 47' ' ' LEU . 82.7 mt -57.36 -41.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.57 110.997 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.506 ' HA ' ' HE3' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -64.54 -47.09 80.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.786 -0.643 . . . . 2.66 110.526 -178.827 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.48 -50.12 64.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 2.48 111.074 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -58.31 -37.06 74.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.965 -0.561 . . . . 1.43 111.372 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.0 t -70.39 -55.58 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.245 -0.434 . . . . 1.31 110.65 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--N 1.325 -0.494 0 CA-C-O 121.383 0.611 . . . . 2.53 111.386 -175.913 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.089 -0.338 . . . . 2.17 110.089 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -79.73 132.34 36.16 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.705 -0.398 . . . . 0.82 110.378 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.462 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 64.6 mt -111.62 120.05 40.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.851 0.358 . . . . 0.39 110.813 -177.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 72.9 m-85 -113.43 155.79 24.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 1.3 110.586 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.489 ' HB ' HD22 ' A' ' 49' ' ' LEU . 22.8 t -135.42 111.73 13.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.137 -0.483 . . . . 1.08 110.522 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.06 154.17 19.59 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.801 -1.185 . . . . 1.18 107.801 167.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.5 tt -151.17 125.12 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.878 -0.329 . . . . 0.55 111.084 -177.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -112.81 78.83 1.16 Allowed 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.775 -0.824 . . . . 1.24 108.775 168.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -150.95 100.31 2.79 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.473 -0.785 . . . . 1.27 109.401 173.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -82.24 85.72 6.78 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 117.863 -1.535 . . . . 2.75 109.506 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.532 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 10.6 t70 -120.75 115.67 23.76 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.727 -1.124 . . . . 1.57 107.993 167.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 34.5 mmtp -61.6 -37.35 83.59 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.819 0.674 . . . . 2.93 112.819 -170.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -26.65 25.02 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.589 -0.444 . . . . 3.44 110.772 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.532 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -63.64 -55.52 22.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.316 -0.624 . . . . 1.46 109.316 174.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.8 mt -52.48 -31.63 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.401 -0.818 . . . . 0.69 110.813 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 11.6 mm-40 -65.08 -58.38 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 2.15 110.559 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.68 -41.71 99.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.554 . . . . 2.05 111.215 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.62 96.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.004 -0.544 . . . . 0.51 111.14 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 45.4 ttt180 -70.4 -47.94 58.5 Favored 'General case' 0 C--O 1.21 -1.007 0 C-N-CA 120.102 -0.639 . . . . 2.96 110.392 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.52 -34.86 69.55 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.876 0.37 . . . . 1.88 110.739 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.405 ' SD ' ' HB ' ' A' ' 118' ' ' ILE . 33.1 ttm -62.64 -52.58 62.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.863 -0.608 . . . . 1.68 110.231 173.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.581 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -65.96 -29.29 69.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 0.49 111.503 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 39.4 mm-40 -59.51 -52.2 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.542 0.687 . . . . 2.41 109.679 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -74.36 -28.07 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.005 -0.998 . . . . 3.63 111.331 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.36 -0.64 53.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.756 0.312 . . . . 0.66 111.342 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.4 m120 60.19 38.55 20.06 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.838 -0.619 . . . . 2.18 111.485 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.581 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 15.3 mt -103.01 161.31 13.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.098 -0.705 . . . . 0.59 109.098 177.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.423 HD12 ' CE1' ' A' ' 24' ' ' PHE . 50.4 mt -101.33 97.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.235 0.54 . . . . 0.53 110.939 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.489 HD22 ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -81.68 120.63 25.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.51 -0.768 . . . . 1.14 108.96 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.4 mt -117.16 108.16 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.868 -0.419 . . . . 0.94 109.868 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 p -72.39 126.5 29.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.127 -0.488 . . . . 1.17 110.943 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.446 HG13 ' HG2' ' A' ' 57' ' ' GLU . 40.4 t -134.5 155.43 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.739 0.304 . . . . 1.38 110.984 -174.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.604 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -155.91 94.94 0.14 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.561 -0.828 . . . . 1.24 111.897 168.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.604 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 14.2 t70 144.53 140.89 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.756 1.622 . . . . 1.98 107.387 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 45.2 mt-10 -69.22 -25.29 64.24 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.843 0.354 . . . . 2.21 111.053 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 43.9 mt-10 -86.74 -25.48 24.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.882 -0.414 . . . . 2.04 109.882 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HG2' HG13 ' A' ' 52' ' ' VAL . 34.3 tt0 -70.71 -28.33 64.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.18 -0.674 . . . . 2.16 109.18 171.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 62' ' ' ILE . 14.4 mt -60.14 -44.15 95.16 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.804 -0.443 . . . . 0.83 109.804 169.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 65.1 mttm -54.73 -27.73 43.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.586 . . . . 2.26 110.994 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -90.1 -45.11 9.36 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.351 -0.84 . . . . 2.35 110.645 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.16 75.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.47 111.386 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 58' ' ' LEU . 65.1 mt -69.3 -38.87 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.983 0.42 . . . . 0.83 109.971 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -65.65 -35.71 81.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.101 0.476 . . . . 2.76 109.862 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -68.56 -36.47 78.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.619 -0.718 . . . . 2.11 110.7 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.09 82.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.027 0.441 . . . . 0.38 109.893 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.04 -41.44 78.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.577 -0.738 . . . . 1.36 110.381 174.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.43 -50.16 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.586 -0.734 . . . . 1.68 111.488 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.38 -38.4 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.141 0.496 . . . . 0.51 110.808 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.534 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -69.25 -49.15 58.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.841 -0.618 . . . . 0.53 111.525 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.8 -18.4 60.96 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.266 0.839 . . . . 1.5 113.266 -170.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 C--N 1.313 -1.019 0 C-N-CA 120.182 -0.607 . . . . 2.71 109.506 176.757 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.724 0.297 . . . . 0.71 110.745 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 65.4 mttm -123.56 141.84 51.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.199 -0.667 . . . . 1.67 109.199 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.459 ' HB ' HG23 ' A' ' 103' ' ' VAL . 61.8 mt -138.72 139.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.57 0.224 . . . . 0.49 111.266 -174.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 80' ' ' LEU . 14.8 mt -101.07 143.09 31.62 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.09 -0.337 . . . . 1.4 110.09 169.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 92.0 mt -120.19 96.04 4.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.864 -0.791 . . . . 0.38 108.864 165.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 25.1 mt -77.76 141.61 39.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.114 -0.698 . . . . 1.61 109.114 174.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.412 HD22 ' HE3' ' A' ' 85' ' ' LYS . 1.1 pp -170.29 164.5 8.93 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.902 -0.407 . . . . 1.17 109.902 177.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 40.3 mt-10 -117.43 99.19 6.83 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.006 -0.677 . . . . 2.04 109.935 174.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.412 ' HE3' HD22 ' A' ' 83' ' ' LEU . 16.6 pttp -177.13 159.08 1.42 Allowed Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 114.992 -1.003 . . . . 2.02 108.524 170.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.16 118.89 5.81 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.247 1.965 . . . . 0.85 112.019 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.7 m -116.32 127.87 73.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.253 0.549 . . . . 1.17 110.895 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.4 m -91.82 158.43 40.0 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.988 -0.551 . . . . 1.44 110.021 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.71 -44.68 25.83 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.729 2.286 . . . . 1.14 113.38 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 44.2 mt-10 -72.99 -12.18 60.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.513 -0.312 . . . . 2.43 111.833 -175.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -69.21 -39.29 78.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.341 -0.614 . . . . 3.78 109.341 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.454 ' HB2' HG22 ' A' ' 105' ' ' VAL . 39.5 tt0 -69.5 -38.02 77.45 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.495 -0.775 . . . . 1.46 110.313 177.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -60.22 -43.33 96.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.94 -0.573 . . . . 3.25 110.686 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 64.6 mttp -63.87 -38.37 90.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.4 -0.364 . . . . 2.44 111.11 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.52 -34.21 54.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.888 0.375 . . . . 1.14 110.83 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.97 -35.71 80.57 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.047 -0.723 . . . . 2.2 109.047 176.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -75.49 -28.08 59.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.117 -0.492 . . . . 2.87 111.406 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -63.62 -42.76 98.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 3.64 110.872 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.73 128.54 48.95 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.153 -0.476 . . . . 0.6 110.097 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.24 101.21 1.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.56 0.695 . . . . 1.77 109.749 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.79 -179.63 0.98 Allowed 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 114.322 -1.308 . . . . 0.5 107.696 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -104.4 89.29 3.19 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 120.088 -0.645 . . . . 1.77 109.275 170.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.459 HG23 ' HB ' ' A' ' 79' ' ' ILE . 3.0 p -87.92 135.77 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.444 0.64 . . . . 1.05 109.705 178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.425 ' HA ' ' OE2' ' A' ' 92' ' ' GLU . 39.8 ttm180 -119.71 99.81 6.88 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.223 -1.029 . . . . 2.71 108.223 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.454 HG22 ' HB2' ' A' ' 92' ' ' GLU . 13.3 m -72.42 133.71 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.274 -0.639 . . . . 0.71 109.274 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.547 ' HB2' HD23 ' A' ' 82' ' ' LEU . 3.4 mmp_? -126.45 113.25 16.6 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.163 -0.336 . . . . 2.63 110.42 -174.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.9 t -89.25 120.7 30.85 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.392 -0.595 . . . . 0.64 109.392 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 24.0 m -106.29 139.33 27.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 1.34 111.376 -174.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.0 p -110.34 -4.74 15.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.917 -0.583 . . . . 1.22 111.161 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.446 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 58.9 m -161.82 151.72 13.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.66 -0.496 . . . . 0.93 109.66 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.434 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 51.7 Cg_exo -54.79 -38.44 91.98 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.258 1.972 . . . . 0.6 112.229 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.56 -40.66 95.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.829 -0.623 . . . . 2.04 110.922 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.446 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 42.2 mm-40 -58.33 -47.39 83.87 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.228 -0.442 . . . . 2.21 110.208 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.05 74.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.722 -0.672 . . . . 0.48 110.885 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -63.76 -38.43 91.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.775 -0.648 . . . . 1.53 110.846 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 120' ' ' GLU . 1.2 mpt_? -65.11 -44.05 90.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.462 -0.335 . . . . 4.21 111.119 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -61.45 -42.29 98.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.667 0.27 . . . . 0.99 110.753 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.405 ' HB ' ' SD ' ' A' ' 41' ' ' MET . 66.3 mt -70.62 -39.5 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.381 -0.372 . . . . 0.57 110.888 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.96 -45.67 86.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.888 0.375 . . . . 2.66 110.397 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 45.4 mt-10 -69.65 -41.4 75.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.575 . . . . 2.48 110.264 178.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 64.5 t80 -63.84 -21.69 66.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 1.43 111.604 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.7 m -64.23 -26.75 68.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.784 0.326 . . . . 1.31 110.387 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--O 1.234 0.278 0 CA-C-N 115.868 -0.605 . . . . 2.53 109.781 -178.016 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.543 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 25.4 ptt? . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 120.664 0.269 . . . . 2.17 110.52 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.3 m -85.01 127.67 34.3 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.561 -0.533 . . . . 0.82 109.561 175.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -104.72 114.95 29.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.251 0.548 . . . . 0.39 110.809 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.439 ' HB2' HG12 ' A' ' 79' ' ' ILE . 37.5 m-85 -105.98 157.87 17.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.54 -0.755 . . . . 1.3 109.325 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 2.6 p -143.43 130.86 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.805 0.812 . . . . 1.08 111.127 173.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.453 HD23 HD12 ' A' ' 58' ' ' LEU . 10.4 mp -115.98 162.96 16.6 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.644 -1.162 . . . . 1.18 109.135 176.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.1 tt -148.37 128.76 4.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 116.386 -0.37 . . . . 0.55 110.448 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 58' ' ' LEU . 6.7 tp -124.57 77.9 1.62 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 119.625 -0.83 . . . . 1.24 109.235 170.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.405 ' HB3' HD21 ' A' ' 34' ' ' LEU . 5.8 t -149.26 88.94 1.61 Allowed 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 107.099 -1.445 . . . . 1.27 107.099 170.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -85.01 88.86 7.49 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.332 -1.347 . . . . 2.75 111.393 -170.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.552 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 8.9 t70 -119.27 140.12 50.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.346 -1.297 . . . . 1.57 108.08 162.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 13.8 mptt -58.05 -61.47 2.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.672 0.669 . . . . 2.93 112.037 -175.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -68.92 -31.0 69.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.489 0.185 . . . . 3.44 111.253 -174.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.562 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 30.1 tp -57.45 -55.3 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 1.46 110.349 174.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.5 mt -59.0 -43.24 88.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.69 111.071 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 45.2 mt-10 -62.7 -51.97 65.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.407 -0.36 . . . . 2.15 111.382 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -67.39 -35.68 79.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.641 0.258 . . . . 2.05 111.376 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.11 79.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.51 110.606 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -63.96 -44.97 91.2 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.19 -0.459 . . . . 2.96 110.895 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 65.9 mttm -52.75 -34.62 53.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.909 0.385 . . . . 1.88 110.945 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.9 tpt -72.61 -55.03 7.51 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.885 -0.598 . . . . 1.68 111.328 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -32.38 61.04 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.325 0.491 . . . . 0.49 112.325 -174.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -61.28 -45.15 95.68 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.344 -0.614 . . . . 2.41 109.344 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -79.51 -20.41 47.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.779 -0.646 . . . . 3.63 111.309 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.2 1.65 17.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.01 0.433 . . . . 0.66 111.04 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 63.37 32.97 14.25 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.327 -0.852 . . . . 2.18 110.688 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.61 140.56 31.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.627 -0.715 . . . . 0.59 109.225 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.5 mt -78.94 91.73 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.374 0.607 . . . . 0.53 109.799 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 62.2 tp -89.94 133.43 34.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.215 -0.902 . . . . 1.14 111.037 -176.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.0 mt -122.92 99.78 7.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.872 -0.604 . . . . 0.94 109.663 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 p -81.35 114.38 20.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.806 -0.634 . . . . 1.17 110.961 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 58' ' ' LEU . 6.1 m -123.84 164.58 21.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.282 -0.417 . . . . 1.38 110.97 -177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -140.98 97.38 0.21 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.585 -0.817 . . . . 1.24 112.305 176.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.0 t70 135.42 149.99 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.956 1.703 . . . . 1.98 108.925 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -62.05 -43.12 99.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.928 0.394 . . . . 2.21 110.67 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.42 -30.38 67.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 2.04 110.91 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -62.51 -41.87 99.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 2.16 110.173 175.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.54 ' HB2' HD13 ' A' ' 28' ' ' LEU . 24.3 tp -62.08 -41.52 98.27 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.825 -0.625 . . . . 0.83 109.998 175.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -60.25 -25.51 65.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.085 -0.961 . . . . 2.26 110.936 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 49.8 mttm -90.57 -35.82 14.8 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.248 -0.887 . . . . 2.35 111.096 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.3 95.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.156 0.503 . . . . 0.47 109.751 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.0 mt -58.64 -46.19 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.858 . . . . 0.83 110.795 176.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -66.21 -43.25 87.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 2.76 111.305 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 7.1 mtpm? -69.15 -27.35 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 2.11 111.112 -177.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.39 -33.35 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.38 110.538 177.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.47 -43.44 98.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 1.36 110.193 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.9 -36.99 75.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.994 -0.548 . . . . 1.68 111.303 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.5 mt -74.66 -39.16 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.003 0.43 . . . . 0.51 110.139 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.14 -53.85 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.754 -0.657 . . . . 0.53 110.94 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 29.3 mmtp -59.18 -31.12 68.71 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.946 -0.57 . . . . 1.5 111.417 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.551 -0.749 . . . . 2.71 110.476 -179.629 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 109.685 -0.487 . . . . 0.71 109.685 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.543 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 47.5 mtmt -136.17 139.47 42.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.081 0.467 . . . . 1.67 110.56 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.58 ' HB ' HG23 ' A' ' 103' ' ' VAL . 53.9 mt -124.0 142.16 41.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.663 -0.698 . . . . 0.49 109.632 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.04 126.49 52.4 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.483 -0.932 . . . . 1.4 108.483 174.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.6 mt -116.18 107.86 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.58 -0.448 . . . . 0.38 110.474 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 106' ' ' ARG . 96.8 mt -95.26 99.04 11.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.499 . . . . 1.61 110.04 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -123.05 159.5 28.29 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 121.161 -0.215 . . . . 1.17 110.603 -178.767 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -102.49 101.55 11.76 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.527 -0.869 . . . . 2.04 108.998 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -174.38 144.22 0.92 Allowed Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 114.933 -1.031 . . . . 2.02 108.452 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.17 119.97 7.1 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 121.917 1.744 . . . . 0.85 110.635 170.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 m -124.6 130.86 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.337 0.589 . . . . 1.17 111.677 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.421 ' HB2' ' HD2' ' A' ' 89' ' ' PRO . 60.0 p -100.12 172.82 4.22 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.417 -0.81 . . . . 1.44 109.855 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 88' ' ' SER . 59.4 Cg_exo -54.27 -29.64 58.28 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 121.815 1.677 . . . . 1.14 111.542 171.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 42.3 mt-10 -70.84 -45.07 65.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.483 -0.78 . . . . 2.43 110.434 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.12 -45.64 83.31 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.917 0.389 . . . . 3.78 110.525 174.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.73 -44.56 86.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.662 -0.699 . . . . 1.46 110.784 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -61.55 -37.22 82.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.665 -0.698 . . . . 3.25 110.9 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 34.8 mmtp -59.78 -46.3 89.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 2.44 110.701 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.7 mt -80.18 -35.33 36.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.988 -0.551 . . . . 1.14 110.867 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -70.94 -29.32 65.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.986 -0.552 . . . . 2.2 110.818 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -81.56 -29.19 33.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.349 -0.387 . . . . 2.87 111.506 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -65.58 -50.39 65.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 3.64 111.0 -176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.24 148.57 24.96 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.652 -0.87 . . . . 0.6 108.652 174.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -88.9 99.25 12.25 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.652 -1.219 . . . . 1.77 108.754 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.0 160.38 2.28 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.06 -1.427 . . . . 0.5 108.528 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -91.58 89.16 7.05 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.727 -0.842 . . . . 1.77 108.727 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.58 HG23 ' HB ' ' A' ' 79' ' ' ILE . 8.8 p -84.22 131.56 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.602 0.715 . . . . 1.05 110.714 -176.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -99.77 98.92 9.68 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.107 -0.951 . . . . 2.71 108.58 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.65 116.45 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.182 0.515 . . . . 0.71 109.824 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.513 ' HB2' HD23 ' A' ' 82' ' ' LEU . 5.4 mmp_? -119.53 137.36 53.87 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 122.156 -0.34 . . . . 2.63 110.42 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 12.4 t -90.6 132.87 35.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.537 -0.542 . . . . 0.64 109.537 178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 114' ' ' ALA . 10.4 p -126.33 146.52 32.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.406 -0.361 . . . . 1.34 111.125 -175.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.3 p -131.5 -17.52 2.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 1.22 111.331 175.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 4.2 p -138.4 140.59 28.67 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-O 121.367 0.603 . . . . 0.93 111.375 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PRO . . . . . 0.562 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 88.7 Cg_exo -50.18 -36.81 47.32 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.459 3.439 . . . . 0.6 114.032 -177.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.15 -38.2 78.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.468 -0.333 . . . . 2.04 111.199 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.58 -36.63 81.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.782 0.325 . . . . 2.21 110.127 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.469 ' HB2' HG21 ' A' ' 108' ' ' VAL . . . -56.95 -50.02 73.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.48 110.114 175.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -61.32 -31.69 71.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.725 -0.67 . . . . 1.53 111.172 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -65.31 -51.52 60.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.275 -0.421 . . . . 4.21 110.798 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -64.18 -39.14 93.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.99 110.82 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.12 -46.51 91.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.57 110.505 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -60.42 -46.8 88.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 2.66 110.92 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -65.52 -35.68 81.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.779 -0.646 . . . . 2.48 111.351 -177.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -77.97 -32.84 51.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.947 0.403 . . . . 1.43 110.552 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.2 t -64.31 -46.85 81.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 1.31 110.755 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.04 -0.527 . . . . 2.53 111.748 -173.717 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.627 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 49.9 ttp . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.307 -0.257 . . . . 2.17 110.307 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -83.14 121.49 27.13 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.252 -0.277 . . . . 0.82 110.252 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.4 mt -100.66 123.9 45.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.14 0.495 . . . . 0.39 111.03 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 44.8 m-85 -113.92 161.72 17.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.86 -0.609 . . . . 1.3 109.969 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.3 p -149.14 132.33 7.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.499 0.666 . . . . 1.08 111.057 172.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.506 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -111.31 160.89 16.61 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.927 -1.033 . . . . 1.18 109.05 175.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.548 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 17.9 tt -151.07 126.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 C-N-CA 120.522 -0.471 . . . . 0.55 111.734 -178.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -117.24 78.55 1.23 Allowed 'General case' 0 CA--C 1.513 -0.456 0 N-CA-C 107.826 -1.176 . . . . 1.24 107.826 165.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.6 m -149.85 89.65 1.63 Allowed 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.176 -0.92 . . . . 1.27 110.128 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' HA ' HD11 ' A' ' 35' ' ' ILE . 40.7 m-80 -90.2 87.39 6.83 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 118.055 -1.458 . . . . 2.75 110.731 -177.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.618 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 7.4 t70 -120.66 135.32 55.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.331 -1.304 . . . . 1.57 108.204 162.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -56.31 -56.82 16.38 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 118.771 0.714 . . . . 2.93 112.048 -173.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -72.69 -34.45 67.17 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.084 -0.246 . . . . 3.44 111.476 -174.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.618 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 41.1 tp -57.62 -50.41 73.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.673 0.273 . . . . 1.46 110.553 176.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 30' ' ' ASN . 57.8 mt -59.72 -39.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.06 -0.518 . . . . 0.69 110.667 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 8.5 mm-40 -57.78 -58.01 10.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 2.15 110.427 175.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 59.8 mm-40 -59.6 -44.49 93.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.884 -0.598 . . . . 2.05 111.488 -178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.38 85.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.51 111.175 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 39' ' ' ARG . 15.0 ttt180 -66.49 -50.69 62.43 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 120.566 -0.454 . . . . 2.96 110.251 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 95.5 mttt -53.59 -39.8 65.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 1.88 111.287 -176.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.4 tpt -67.26 -53.84 26.34 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.861 -0.609 . . . . 1.68 110.936 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -72.99 -27.05 61.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.076 -0.511 . . . . 0.49 111.767 -177.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -66.2 -46.04 78.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.193 0.521 . . . . 2.41 110.098 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -78.16 -16.81 57.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.788 -0.642 . . . . 3.63 110.425 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.41 -2.51 57.29 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.87 -0.605 . . . . 0.66 109.97 172.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.3 t30 60.7 34.19 20.05 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.027 -0.988 . . . . 2.18 111.355 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.423 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 19.9 mt -86.89 155.17 20.35 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.078 -0.712 . . . . 0.59 109.078 176.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.486 HD12 ' CE2' ' A' ' 24' ' ' PHE . 50.0 mt -90.27 92.02 3.82 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-O 121.452 0.644 . . . . 0.53 109.902 176.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 39' ' ' ARG . 48.8 tp -92.33 116.61 29.12 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.028 -0.987 . . . . 1.14 110.479 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.506 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 51.3 mt -108.97 106.89 21.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.065 0.46 . . . . 0.94 109.786 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.3 p -87.78 112.38 22.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.856 -0.611 . . . . 1.17 111.03 -177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.471 HG21 ' HA ' ' A' ' 58' ' ' LEU . 35.7 m -125.94 166.96 21.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.446 -0.576 . . . . 1.38 109.446 177.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.546 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -136.97 95.35 0.23 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 119.81 -1.186 . . . . 1.24 112.521 174.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 30.9 t70 154.89 150.12 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.324 1.45 . . . . 1.98 108.1 175.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.41 -38.37 81.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.124 0.488 . . . . 2.21 110.267 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 7.3 mm-40 -72.28 -40.55 67.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.102 -0.499 . . . . 2.04 110.051 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -62.14 -31.6 72.1 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.185 -0.461 . . . . 2.16 111.11 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.471 ' HA ' HG21 ' A' ' 52' ' ' VAL . 45.8 tp -60.58 -40.77 92.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.42 . . . . 0.83 110.11 176.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -67.94 -19.68 64.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.898 -0.592 . . . . 2.26 111.05 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 6.3 mmpt? -86.86 -33.48 19.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.717 -0.674 . . . . 2.35 109.754 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -72.74 -43.71 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.634 -0.712 . . . . 0.47 109.674 175.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.406 HG22 ' HB2' ' A' ' 99' ' ' ALA . 87.9 mt -57.68 -44.02 84.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.311 -0.859 . . . . 0.83 110.458 174.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -61.76 -42.93 99.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 2.76 110.725 177.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' O ' HG13 ' A' ' 68' ' ' ILE . 38.4 ttmt -62.22 -38.87 90.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 2.11 110.051 179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.66 -43.05 99.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.021 -0.536 . . . . 0.38 110.421 176.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' O ' ' HB2' ' A' ' 70' ' ' LYS . 24.4 t70 -59.58 -44.95 93.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.826 -0.625 . . . . 1.36 110.461 176.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -62.54 -48.25 80.34 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.053 -0.522 . . . . 1.68 111.524 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 64' ' ' LYS . 81.7 mt -62.68 -44.24 99.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 120.857 0.361 . . . . 0.51 110.717 -179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.567 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -64.66 -42.73 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.53 110.81 179.105 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.582 ' NZ ' ' HB2' ' A' ' 100' ' ' ASP . 9.1 tppt? -54.75 -36.08 64.43 Favored 'General case' 0 CA--C 1.509 -0.605 0 CA-C-N 115.502 -0.772 . . . . 1.5 111.95 -174.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -54.84 -41.97 71.38 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.75 -0.659 . . . . 2.71 110.571 -178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -125.63 -55.15 1.53 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 114.476 1.287 . . . . 2.22 114.476 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -116.25 12.65 15.46 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.337 1.977 . . . . 2.41 116.337 -163.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.563 ' CB ' ' HA ' ' A' ' 70' ' ' LYS . 33.1 t -62.99 -9.4 9.87 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 119.053 0.842 . . . . 3.38 111.844 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.8 m -52.64 -44.6 66.21 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.107 0.479 . . . . 2.75 109.834 173.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -153.68 99.0 2.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.803 -0.635 . . . . 2.76 109.699 171.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.33 158.87 30.08 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.556 -0.747 . . . . 0.71 109.315 177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.627 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 54.2 mtmt -126.33 137.7 53.51 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.908 -0.405 . . . . 1.67 109.908 177.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.502 ' HB ' HG23 ' A' ' 103' ' ' VAL . 53.3 mt -130.38 142.76 42.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.739 -0.664 . . . . 0.49 109.919 -176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 21.6 tp -113.88 136.1 53.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.09 -0.707 . . . . 1.4 109.09 176.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.485 HG22 HD22 ' A' ' 83' ' ' LEU . 70.4 mt -120.31 109.61 26.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 N-CA-C 109.868 -0.419 . . . . 0.38 109.868 176.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.548 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 71.1 mt -93.67 104.77 16.85 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.486 -0.561 . . . . 1.61 109.486 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.644 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.5 pt? -128.26 156.43 43.01 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-O 120.626 0.251 . . . . 1.17 110.485 -177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -99.33 98.32 9.28 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 107.437 -1.32 . . . . 2.04 107.437 169.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -175.16 140.29 0.63 Allowed Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 114.808 -1.087 . . . . 2.02 108.368 -179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -63.8 118.63 5.56 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 121.656 1.57 . . . . 0.85 110.722 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.1 m -110.98 129.8 65.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.226 0.536 . . . . 1.17 111.712 -175.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.3 m -101.1 157.27 33.97 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.786 -0.643 . . . . 1.44 110.495 176.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 80.6 Cg_exo -47.17 -51.41 9.46 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.9 2.4 . . . . 1.14 112.994 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -59.71 -36.82 77.3 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.497 -0.32 . . . . 2.43 111.04 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -62.97 -39.14 93.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 3.78 110.108 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.38 -45.09 92.72 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.8 -0.636 . . . . 1.46 110.789 176.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 67.5 mmtt -73.18 -22.23 60.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.095 -0.502 . . . . 3.25 110.779 -174.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -64.42 -46.51 82.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.968 0.413 . . . . 2.44 110.1 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 86.5 mt -74.77 -32.68 62.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.028 -0.533 . . . . 1.14 110.274 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.445 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 24.2 tm0? -65.31 -36.5 84.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.666 . . . . 2.2 110.52 178.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -81.35 -9.52 59.73 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.889 -0.324 . . . . 2.87 111.813 177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -78.4 -51.35 10.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.2 0.524 . . . . 3.64 109.871 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -107.56 129.89 54.93 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.739 -0.837 . . . . 0.6 108.739 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.582 ' HB2' ' NZ ' ' A' ' 70' ' ' LYS . 8.3 m-20 -75.73 99.5 4.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.018 0.913 . . . . 1.77 109.547 -173.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.09 179.0 1.35 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 113.204 -1.816 . . . . 0.5 107.766 -178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.529 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 68.8 mm-40 -103.91 94.81 5.61 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 109.268 -0.641 . . . . 1.77 109.268 171.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.502 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.5 p -92.19 139.96 17.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.364 0.602 . . . . 1.05 110.323 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.423 ' O ' HD12 ' A' ' 80' ' ' LEU . 70.1 mtt180 -115.8 110.76 19.51 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.341 -0.845 . . . . 2.71 108.781 174.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.3 m -81.03 133.14 29.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 N-CA-C 109.025 -0.731 . . . . 0.71 109.025 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -133.91 121.42 21.68 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 121.04 -0.264 . . . . 2.63 111.278 -172.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.644 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 9.3 t -83.4 129.8 35.01 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.529 -0.545 . . . . 0.64 109.529 173.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.3 m -116.47 156.09 17.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.185 0.516 . . . . 1.34 111.384 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 14.3 p -125.21 -63.16 1.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.446 -0.797 . . . . 1.22 110.997 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 17.6 m -113.28 153.46 45.52 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.439 -0.346 . . . . 0.93 111.077 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.517 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 86.1 Cg_exo -43.36 -52.01 5.39 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.398 2.732 . . . . 0.6 113.806 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -60.07 -32.35 70.85 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.471 -0.331 . . . . 2.04 111.82 -177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.67 -44.47 86.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.923 0.392 . . . . 2.21 110.011 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.33 -40.92 97.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.821 -0.627 . . . . 0.48 110.772 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 111' ' ' PRO . 50.1 mtpt -64.27 -34.19 77.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.524 . . . . 1.53 110.497 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.437 ' HD2' ' CZ3' ' A' ' 117' ' ' TRP . 10.7 ttm180 -64.75 -42.14 95.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 4.21 110.239 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.437 ' CZ3' ' HD2' ' A' ' 116' ' ' ARG . 6.1 m95 -68.9 -34.83 76.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.842 -0.617 . . . . 0.99 110.748 -178.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 114' ' ' ALA . 74.6 mt -63.46 -40.1 87.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.849 -0.426 . . . . 0.57 109.849 175.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -63.76 -41.82 97.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 2.66 110.65 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.487 ' O ' ' HB3' ' A' ' 124' ' ' GLU . 33.7 tt0 -70.11 -19.35 63.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.315 0.579 . . . . 2.48 110.708 -178.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -91.22 -50.68 5.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.553 -0.749 . . . . 1.43 111.67 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 m -84.43 -20.28 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.74 0.305 . . . . 1.31 111.607 -175.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -128.97 43.88 3.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.301 0.572 . . . . 2.53 110.527 -174.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.487 ' HB3' ' O ' ' A' ' 120' ' ' GLU . 12.0 pt-20 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.172 -0.918 . . . . 2.76 110.523 178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.628 0.252 . . . . 2.17 110.336 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -97.38 136.24 38.12 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.843 -0.428 . . . . 0.82 109.843 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 84.9 mt -120.42 124.96 46.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.056 0.455 . . . . 0.39 110.527 -177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CE1' HD12 ' A' ' 48' ' ' ILE . 48.7 m-85 -113.02 151.22 30.9 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.966 -0.561 . . . . 1.3 110.343 -176.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.533 HG13 ' HA ' ' A' ' 49' ' ' LEU . 3.9 p -133.86 113.37 18.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.795 0.807 . . . . 1.08 110.857 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 58' ' ' LEU . 6.8 mp -97.65 151.32 20.23 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.945 -1.025 . . . . 1.18 108.445 177.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.782 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 17.0 tt -151.68 119.85 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 C-N-CA 120.026 -0.67 . . . . 0.55 112.754 -176.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mp -105.63 76.78 1.22 Allowed 'General case' 0 CA--C 1.516 -0.329 0 N-CA-C 108.824 -0.806 . . . . 1.24 108.824 166.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.7 m -149.45 88.69 1.58 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.005 -0.998 . . . . 1.27 108.826 175.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -94.61 90.54 6.18 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 118.43 -1.308 . . . . 2.75 110.834 -175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 12.6 t70 -118.31 136.49 53.67 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.691 -1.226 . . . . 1.57 107.691 160.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 14.3 mmmm -55.97 -55.66 30.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 118.597 0.635 . . . . 2.93 111.681 -174.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.38 -32.49 64.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.435 -0.348 . . . . 3.44 110.86 -174.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -58.18 -53.44 58.23 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.501 -0.555 . . . . 1.46 109.501 175.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.6 mt -56.6 -33.95 40.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.124 0.488 . . . . 0.69 110.593 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 46.3 mt-10 -67.97 -51.68 44.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.764 -0.653 . . . . 2.15 110.127 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 57.5 mm-40 -60.42 -40.83 92.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.847 -0.615 . . . . 2.05 110.96 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.39 93.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.793 -0.64 . . . . 0.51 110.707 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 58.4 ttp180 -67.25 -36.85 82.46 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 116.475 -0.329 . . . . 2.96 110.863 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 99.7 mttt -53.85 -40.53 66.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.21 0.529 . . . . 1.88 110.39 177.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.6 mmm -75.63 -54.2 7.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.621 -0.718 . . . . 1.68 110.702 177.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.47 -38.24 86.89 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.638 0.607 . . . . 0.49 112.638 -173.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -62.28 -46.67 87.76 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.835 -0.802 . . . . 2.41 108.835 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HE3' ' N ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -68.07 -29.41 68.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.528 -0.76 . . . . 3.63 110.831 176.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.43 1.66 40.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.039 -0.528 . . . . 0.66 112.03 -176.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.09 40.01 12.42 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.96 0.886 . . . . 2.18 110.203 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.5 HD12 HG23 ' A' ' 118' ' ' ILE . 65.9 mt -107.31 136.0 47.86 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.764 -0.653 . . . . 0.59 110.126 178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.411 HD12 ' CE1' ' A' ' 24' ' ' PHE . 61.9 mt -78.38 104.32 6.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 109.74 -0.467 . . . . 0.53 109.74 177.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.533 ' HA ' HG13 ' A' ' 25' ' ' VAL . 52.7 tp -84.15 121.61 27.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.807 -0.633 . . . . 1.14 110.752 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.4 mt -118.47 102.19 12.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.066 0.46 . . . . 0.94 110.067 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -85.04 110.68 19.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.041 -0.527 . . . . 1.17 111.299 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.501 HG11 ' HB2' ' A' ' 61' ' ' ALA . 15.3 m -132.6 145.13 34.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.755 -0.657 . . . . 1.38 109.652 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -126.45 95.79 0.45 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 119.72 -1.228 . . . . 1.24 112.654 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.486 ' OD1' ' HB2' ' A' ' 56' ' ' GLU . 21.8 t70 151.1 152.44 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.398 1.479 . . . . 1.98 108.858 175.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.29 -43.24 95.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.984 0.421 . . . . 2.21 110.948 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 24.4 mm-40 -67.4 -39.78 85.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.035 -0.53 . . . . 2.04 110.07 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.434 ' HG2' ' HB3' ' A' ' 54' ' ' ASP . 49.7 mm-40 -64.98 -32.77 74.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 2.16 110.838 176.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 26' ' ' LEU . 60.9 tp -60.0 -43.23 95.34 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.378 -0.601 . . . . 0.83 109.378 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -62.64 -22.99 66.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.821 -0.627 . . . . 2.26 111.758 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 8.4 mmpt? -84.2 -36.01 23.09 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.126 -0.488 . . . . 2.35 110.195 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -70.64 -39.26 73.76 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.585 -0.524 . . . . 0.47 109.585 174.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 58' ' ' LEU . 87.0 mt -59.33 -50.69 78.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.26 -0.882 . . . . 0.83 110.607 176.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -65.11 -34.73 79.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 2.76 110.742 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 68' ' ' ILE . 89.1 tttt -66.06 -45.76 80.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.421 -0.354 . . . . 2.11 110.217 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.41 -47.8 84.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.38 110.587 178.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.706 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 14.1 t70 -58.91 -39.08 80.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.702 -0.681 . . . . 1.36 110.784 176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.509 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 30.7 t70 -67.33 -48.82 66.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.921 -0.582 . . . . 1.68 111.039 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 64' ' ' LYS . 75.3 mt -65.0 -32.5 58.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.239 -0.437 . . . . 0.51 110.547 -179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.1 -52.2 50.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 0.53 111.193 177.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.653 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 68.1 mttm -59.79 -27.48 66.6 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 112.468 0.544 . . . . 1.5 112.468 -175.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 67.7 mttm -53.21 -42.91 66.79 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.095 0.474 . . . . 2.71 110.026 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -127.13 -53.72 1.39 Allowed 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 114.709 1.374 . . . . 2.22 114.709 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -114.04 14.63 18.4 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 115.325 1.602 . . . . 2.41 115.325 -159.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.653 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 5.9 p -65.18 14.06 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 114.046 1.128 . . . . 3.38 114.046 -175.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 27.6 p -60.92 -41.5 96.27 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.924 -0.769 . . . . 2.75 108.924 171.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -170.13 99.75 0.28 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.914 -1.039 . . . . 2.76 108.915 173.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.82 149.06 29.64 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.373 -0.376 . . . . 0.71 110.232 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.476 ' HG2' ' HB2' ' A' ' 102' ' ' GLU . 35.9 mtmm -118.95 143.54 46.97 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.805 -0.442 . . . . 1.67 109.805 176.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.574 ' HB ' HG23 ' A' ' 103' ' ' VAL . 74.7 mt -130.98 142.41 43.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.22 -0.446 . . . . 0.49 110.111 -178.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 tt -108.65 123.36 48.85 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.77 -0.826 . . . . 1.4 108.77 176.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.0 mt -110.41 99.89 9.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.062 0.458 . . . . 0.38 110.022 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.782 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -93.17 136.37 33.5 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.275 -1.009 . . . . 1.61 108.275 178.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -163.22 164.33 25.13 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.035 0.445 . . . . 1.17 111.683 -178.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -93.76 101.37 13.48 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 107.542 -1.281 . . . . 2.04 107.542 167.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.558 ' HB3' HD13 ' A' ' 83' ' ' LEU . 51.9 tttp -174.42 145.07 0.97 Allowed Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 110.07 -0.345 . . . . 2.02 110.07 -177.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.02 118.52 5.59 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 121.867 1.712 . . . . 0.85 110.157 166.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.1 m -111.44 130.71 64.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.281 0.562 . . . . 1.17 111.529 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.0 m -100.24 154.85 36.99 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.755 -0.657 . . . . 1.44 110.279 178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.422 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 81.9 Cg_exo -47.56 -51.36 9.79 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.733 2.289 . . . . 1.14 112.796 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.49 -36.05 75.29 Favored 'General case' 0 C--N 1.334 -0.109 0 CA-C-N 116.335 -0.393 . . . . 2.43 111.013 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.18 -38.94 93.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 3.78 110.543 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.455 ' HB2' HG22 ' A' ' 105' ' ' VAL . 31.4 tt0 -66.3 -45.74 79.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.055 -0.521 . . . . 1.46 110.29 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 28.9 mmmt -73.32 -17.86 61.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.86 -0.609 . . . . 3.25 110.182 -178.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -71.48 -45.82 61.5 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.812 -0.631 . . . . 2.44 109.969 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.16 -30.67 60.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.629 -0.714 . . . . 1.14 109.589 177.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.24 -33.15 75.15 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.381 -0.827 . . . . 2.2 109.306 174.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -79.85 -28.1 40.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.222 -0.445 . . . . 2.87 110.72 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -70.06 -39.61 75.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.007 0.432 . . . . 3.64 111.039 -177.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -119.99 138.43 53.49 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.359 -0.608 . . . . 0.6 109.359 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -77.94 96.92 5.15 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 118.827 -1.149 . . . . 1.77 108.287 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.08 149.92 0.93 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 114.56 -1.2 . . . . 0.5 108.945 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.476 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 63.4 mm-40 -81.05 89.58 5.95 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 109.031 -0.729 . . . . 1.77 109.031 173.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.574 HG23 ' HB ' ' A' ' 79' ' ' ILE . 3.5 p -90.67 144.93 8.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.708 -0.678 . . . . 1.05 110.463 -176.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 106' ' ' ARG . 17.5 ptp180 -121.39 115.5 23.02 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.129 -0.941 . . . . 2.71 109.005 173.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.455 HG22 ' HB2' ' A' ' 92' ' ' GLU . 14.4 m -91.48 125.69 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 N-CA-C 109.007 -0.738 . . . . 0.71 109.007 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 104' ' ' ARG . 78.6 mmt-85 -127.98 143.16 51.08 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.044 0.449 . . . . 2.63 111.045 -174.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 10.1 t -119.56 139.12 52.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.6 -0.727 . . . . 0.64 109.93 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 33.6 m -125.38 167.97 18.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.01 0.433 . . . . 1.34 111.04 -177.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 64.2 p -123.53 0.36 8.79 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.796 -0.638 . . . . 1.22 110.062 176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.1 p -165.48 153.74 10.23 Favored Pre-proline 0 N--CA 1.453 -0.305 0 CA-C-N 115.835 -0.621 . . . . 0.93 111.038 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -47.21 -49.75 12.32 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.333 2.689 . . . . 0.6 114.554 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.551 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 27.3 t70 -62.29 -30.22 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.677 0.621 . . . . 2.04 112.677 -169.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -61.0 -42.32 98.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.798 0.332 . . . . 2.21 110.579 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.09 -37.9 86.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.526 . . . . 0.48 110.391 178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.551 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 8.9 mtpm? -60.87 -36.48 79.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.599 -0.728 . . . . 1.53 110.53 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 50.6 mtp180 -66.83 -53.06 36.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.802 -0.636 . . . . 4.21 110.832 176.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 52.4 m95 -56.87 -39.02 73.57 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.897 -0.592 . . . . 0.99 111.1 -177.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.5 HG23 HD12 ' A' ' 47' ' ' LEU . 82.4 mt -61.67 -45.35 98.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.57 111.1 178.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 18.2 ttmm -67.47 -45.26 76.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.556 -0.293 . . . . 2.66 110.978 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -64.67 -27.11 68.7 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.943 0.401 . . . . 2.48 111.296 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -80.7 -47.87 13.39 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.067 -0.515 . . . . 1.43 111.197 -179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 p -66.09 -32.64 74.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.319 -0.4 . . . . 1.31 110.88 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -102.95 38.28 1.78 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.164 0.507 . . . . 2.53 110.789 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.322 -0.847 . . . . 2.76 109.111 173.777 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.735 ' HA ' ' OD1' ' A' ' 73' ' ' ASN . 1.7 pmm? . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 109.883 -0.414 . . . . 2.17 109.883 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.4 m -76.7 123.52 26.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.75 0.31 . . . . 0.82 110.6 -177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.8 mt -104.65 128.05 52.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.459 . . . . 0.39 110.631 -179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -117.81 147.45 43.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.112 -0.494 . . . . 1.3 110.063 179.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.497 HG13 ' HA ' ' A' ' 49' ' ' LEU . 3.7 p -134.6 130.4 53.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.893 0.854 . . . . 1.08 110.79 172.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.44 HD23 ' CD1' ' A' ' 58' ' ' LEU . 11.0 mp -115.23 159.11 21.37 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.477 -1.238 . . . . 1.18 109.051 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 13.3 tt -150.76 124.68 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 C-N-CA 121.021 -0.271 . . . . 0.55 110.35 175.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' A' ' 58' ' ' LEU . 5.7 tp -108.47 76.69 1.04 Allowed 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.318 -0.993 . . . . 1.24 108.318 173.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -150.95 145.66 25.74 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.375 -1.284 . . . . 1.27 108.602 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -126.39 88.19 2.79 Favored 'General case' 0 C--N 1.319 -0.741 0 C-N-CA 118.433 -1.307 . . . . 2.75 110.811 168.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -119.34 129.5 54.88 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.627 -1.249 . . . . 1.57 107.627 160.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -66.21 -28.43 68.73 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 111.988 0.366 . . . . 2.93 111.988 -172.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -90.49 -35.81 14.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.871 0.367 . . . . 3.44 110.722 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.1 tt -63.17 -46.3 87.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 1.46 110.03 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.36 -39.98 71.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.145 -0.48 . . . . 0.69 110.529 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 27.0 mm-40 -55.35 -62.1 1.9 Allowed 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.239 -0.437 . . . . 2.15 110.939 174.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.557 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 38.2 mm-40 -57.95 -38.78 76.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 2.05 112.015 -176.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.46 98.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.89 0.376 . . . . 0.51 110.358 178.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.625 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 41.4 ttm180 -72.49 -27.43 62.26 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.787 -0.365 . . . . 2.96 110.627 179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.557 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 69.7 mmtt -57.14 -40.93 78.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.198 0.523 . . . . 1.88 109.929 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 21.4 mmt -78.58 -48.5 15.05 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.629 -0.714 . . . . 1.68 111.068 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.26 77.75 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.002 0.371 . . . . 0.49 112.002 -175.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.625 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -61.71 -51.51 68.11 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.243 -0.651 . . . . 2.41 109.243 178.659 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.481 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 1.4 mptm? -71.59 -24.05 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.723 -0.671 . . . . 3.63 111.078 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.427 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -81.79 -5.46 58.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.963 0.411 . . . . 0.66 110.743 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.2 m120 62.68 31.8 16.52 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.274 -0.875 . . . . 2.18 111.026 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.427 ' HG ' ' HB3' ' A' ' 45' ' ' ALA . 62.3 mt -86.66 138.34 31.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.78 -0.645 . . . . 0.59 109.886 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 61.7 mt -74.36 97.6 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.375 -0.602 . . . . 0.53 109.375 175.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HA ' HG13 ' A' ' 25' ' ' VAL . 58.0 tp -86.18 125.14 33.31 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.702 -0.681 . . . . 1.14 110.891 -177.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.8 mt -118.61 99.72 8.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.282 -0.636 . . . . 0.94 109.282 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.2 m -84.83 120.26 26.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.964 -0.562 . . . . 1.17 110.516 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.415 HG23 HD12 ' A' ' 28' ' ' LEU . 3.7 m -135.73 164.97 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.748 -0.205 . . . . 1.38 110.707 -178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.518 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -148.82 96.67 0.17 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.242 -0.98 . . . . 1.24 112.572 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.9 t70 143.22 153.87 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.673 1.589 . . . . 1.98 108.321 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -62.78 -44.95 94.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.891 0.376 . . . . 2.21 110.879 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 75.7 mm-40 -70.14 -28.89 65.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.028 -0.533 . . . . 2.04 109.982 -179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -71.16 -33.78 70.36 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.035 -0.53 . . . . 2.16 110.679 176.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.533 ' HB2' HD13 ' A' ' 28' ' ' LEU . 35.9 tp -65.91 -30.55 71.16 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.383 -0.599 . . . . 0.83 109.383 174.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -68.22 -18.82 64.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.365 0.602 . . . . 2.26 111.126 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 26.1 mmtp -84.37 -33.86 23.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.574 -0.739 . . . . 2.35 109.594 178.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -79.78 -43.51 22.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.463 -0.789 . . . . 0.47 110.702 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.02 -50.1 81.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.83 110.745 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -65.93 -30.54 71.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.46 -0.336 . . . . 2.76 110.455 179.664 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.444 ' HB2' ' NZ ' ' A' ' 64' ' ' LYS . 4.2 ttmp? -67.8 -50.77 55.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.988 -0.551 . . . . 2.11 110.243 177.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.0 93.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.38 110.472 178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -55.34 -46.67 76.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.661 -0.7 . . . . 1.36 110.809 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -67.06 -48.47 68.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.709 -0.678 . . . . 1.68 111.456 -178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.438 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 76.6 mt -61.99 -38.07 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.034 0.445 . . . . 0.51 110.682 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.54 -57.2 10.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.166 -0.47 . . . . 0.53 110.711 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 92.0 mttt -63.88 -24.88 67.91 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.234 -0.439 . . . . 1.5 111.415 -177.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 68' ' ' ILE . 59.0 tttm -51.75 -47.01 64.26 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 109.355 -0.609 . . . . 2.71 109.355 174.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -127.48 -58.01 1.27 Allowed 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 115.184 1.55 . . . . 2.22 115.184 -175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.735 ' OD1' ' HA ' ' A' ' 21' ' ' MET . 5.4 t-20 -118.23 15.1 14.0 Favored 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 114.878 1.436 . . . . 2.41 114.878 -160.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.498 ' HB2' ' HA ' ' A' ' 70' ' ' LYS . 22.0 t -60.65 6.87 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.032 1.123 . . . . 3.38 114.032 -172.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 p -57.66 -36.34 71.76 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 109.044 -0.725 . . . . 2.75 109.044 168.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -143.38 114.23 7.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.366 -0.834 . . . . 2.76 109.281 167.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.511 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . -118.81 109.84 16.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.174 -0.466 . . . . 0.71 110.34 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 121' ' ' PHE . 43.4 mttp -98.42 122.6 41.81 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.109 -0.496 . . . . 1.67 110.189 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 49.0 mt -124.98 134.46 66.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.991 -0.55 . . . . 0.49 109.932 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 44.0 tp -113.25 112.32 23.53 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.959 -0.385 . . . . 1.4 109.959 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.555 HG22 HD22 ' A' ' 83' ' ' LEU . 81.2 mt -101.0 112.78 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.743 -0.383 . . . . 0.38 110.076 177.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 91.9 mt -93.15 112.07 23.9 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.879 -0.415 . . . . 1.61 109.879 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.722 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.6 pt? -138.55 139.59 38.74 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 110.353 -0.24 . . . . 1.17 110.353 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 7.2 pt-20 -86.32 99.62 11.72 Favored 'General case' 0 N--CA 1.443 -0.791 0 C-N-CA 118.916 -1.114 . . . . 2.04 108.678 170.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 89.2 mttt -170.18 146.03 2.45 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 114.104 -1.407 . . . . 2.02 108.333 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -69.21 118.62 5.79 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.854 1.703 . . . . 0.85 110.741 171.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.5 m -114.71 135.32 54.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.284 0.564 . . . . 1.17 111.904 -172.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.7 m -101.06 157.53 33.49 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.604 -0.726 . . . . 1.44 110.012 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -49.18 -46.55 25.29 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.488 2.125 . . . . 1.14 112.369 178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 42.8 tt0 -62.19 -35.23 78.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.029 -0.532 . . . . 2.43 110.973 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -61.93 -40.49 95.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.964 -0.384 . . . . 3.78 109.964 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.26 -45.32 93.7 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 115.965 -0.561 . . . . 1.46 110.184 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 42.6 mmtm -71.84 -18.14 62.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.629 -0.714 . . . . 3.25 111.773 -176.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 30.4 mtpp -76.47 -43.32 40.28 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.976 -0.379 . . . . 2.44 109.976 174.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 77.0 mt -72.16 -35.03 68.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.37 0.605 . . . . 1.14 109.522 175.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.431 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 39.3 tt0 -70.17 -17.19 63.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.027 -0.988 . . . . 2.2 109.66 176.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.7 -40.82 24.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.749 -0.659 . . . . 2.87 110.523 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -64.76 -42.21 95.32 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.198 -0.456 . . . . 3.64 110.679 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.08 119.37 36.9 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.534 -0.543 . . . . 0.6 109.534 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -72.1 103.09 3.18 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-O 121.758 0.79 . . . . 1.77 108.894 -177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.511 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -172.59 -167.95 0.48 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 114.085 -1.416 . . . . 0.5 109.303 -172.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -124.63 88.03 2.82 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-O 121.668 0.746 . . . . 1.77 109.049 172.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.459 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 7.4 p -89.85 138.29 19.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.255 -0.884 . . . . 1.05 110.445 -174.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -104.84 100.46 10.08 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.893 -0.78 . . . . 2.71 108.893 173.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.38 124.12 32.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 119.798 -0.761 . . . . 0.71 109.21 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -125.06 135.07 52.37 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.29 -0.414 . . . . 2.63 110.964 -174.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.722 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 8.9 t -84.48 126.46 33.3 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.299 0.571 . . . . 0.64 110.332 177.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.58 ' O ' ' HB3' ' A' ' 84' ' ' GLU . 4.9 p -124.44 116.82 48.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.291 0.567 . . . . 1.34 111.562 -177.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.5 t -126.12 6.87 7.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.265 0.555 . . . . 1.22 110.235 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.4 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 50.7 m -154.2 135.13 8.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.93 -0.577 . . . . 0.93 110.031 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.66 -38.24 84.27 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.512 2.808 . . . . 0.6 113.479 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.423 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 38.5 m-20 -70.04 -40.72 74.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.642 0.258 . . . . 2.04 110.946 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 32.9 mm-40 -62.61 -40.39 96.8 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.787 -0.449 . . . . 2.21 109.787 176.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.403 ' HB2' ' CG2' ' A' ' 108' ' ' VAL . . . -58.24 -48.07 81.54 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.838 -0.619 . . . . 0.48 110.667 177.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.423 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 57.3 mtmt -61.64 -32.44 72.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.783 -0.644 . . . . 1.53 110.93 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.438 ' HD3' ' C ' ' A' ' 116' ' ' ARG . 1.9 tmt_? -68.32 -43.7 77.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.278 -0.419 . . . . 4.21 109.882 177.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -61.96 -44.02 97.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.99 110.745 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 114' ' ' ALA . 93.0 mt -61.5 -41.92 91.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.761 -0.654 . . . . 0.57 111.106 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -63.88 -43.17 96.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.486 -0.325 . . . . 2.66 110.356 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -60.81 -43.41 98.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.141 0.496 . . . . 2.48 110.82 177.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 78' ' ' LYS . 77.6 t80 -67.25 -44.57 79.08 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.581 -0.736 . . . . 1.43 111.53 -177.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.0 m -71.03 -39.51 72.3 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.056 -0.52 . . . . 1.31 110.493 -178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -110.26 74.78 0.9 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.742 -0.663 . . . . 2.53 110.238 -178.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.582 -0.723 . . . . 2.76 111.192 -178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.861 -0.422 . . . . 2.17 109.861 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.607 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 0.0 OUTLIER -64.78 121.95 15.76 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.814 -0.354 . . . . 0.82 110.422 177.448 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 63.5 mt -111.41 105.6 14.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.3 0.572 . . . . 0.39 110.882 -176.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.607 ' CE1' ' HB ' ' A' ' 22' ' ' THR . 58.3 m-85 -103.99 143.97 32.16 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.657 -0.701 . . . . 1.3 109.608 178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.48 HG13 ' HA ' ' A' ' 49' ' ' LEU . 2.7 p -131.57 116.58 32.15 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-O 121.657 0.742 . . . . 1.08 110.531 176.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD23 HD12 ' A' ' 58' ' ' LEU . 6.6 mp -102.92 156.92 17.33 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.945 -1.025 . . . . 1.18 108.424 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.8 tt -150.25 124.28 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 121.019 -0.272 . . . . 0.55 111.192 -177.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -114.67 79.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.982 -0.747 . . . . 1.24 108.982 172.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 t -149.56 144.05 25.98 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 114.903 -1.044 . . . . 1.27 108.483 174.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -124.86 88.17 2.84 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 118.576 -1.249 . . . . 2.75 110.773 168.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.491 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 28.5 t70 -119.36 137.39 53.75 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.876 -1.056 . . . . 1.57 108.246 162.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.57 -35.33 80.14 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 111.859 0.318 . . . . 2.93 111.859 -175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -85.52 -44.01 13.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.682 0.277 . . . . 3.44 110.635 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 6.3 tt -55.65 -48.51 74.89 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.948 -0.569 . . . . 1.46 110.434 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.8 mt -59.58 -42.62 88.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.69 110.869 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.549 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 43.7 mm-40 -61.37 -56.89 15.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.348 -0.387 . . . . 2.15 111.123 176.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 43.3 mm-40 -59.94 -38.17 81.64 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.234 -0.439 . . . . 2.05 111.53 -177.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.95 87.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.365 -0.38 . . . . 0.51 110.744 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 15.0 ttm-85 -62.42 -45.07 94.78 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.378 -0.374 . . . . 2.96 110.659 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 98.1 mttt -53.17 -36.13 60.57 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.367 0.417 . . . . 1.88 111.698 -175.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 96.5 mmm -70.1 -53.32 17.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.528 -0.305 . . . . 1.68 110.964 179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.28 -27.58 64.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.706 0.289 . . . . 0.49 111.237 -177.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.476 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER -63.18 -53.48 52.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.733 -0.839 . . . . 2.41 108.733 177.08 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.535 ' HD3' ' O ' ' A' ' 44' ' ' LYS . 7.8 tmtm? -66.26 -37.52 85.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.956 -1.02 . . . . 3.63 109.946 178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.97 -8.37 56.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.66 111.937 -177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.9 m120 61.91 43.84 8.89 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.693 -0.685 . . . . 2.18 111.497 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.8 mt -95.11 -179.32 4.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.946 -0.57 . . . . 0.59 109.929 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.8 mt -106.85 96.04 4.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.635 -0.506 . . . . 0.53 109.635 175.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.48 ' HA ' HG13 ' A' ' 25' ' ' VAL . 51.4 tp -93.63 123.81 37.2 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.751 -0.659 . . . . 1.14 110.935 -177.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.7 102.55 14.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 109.298 -0.631 . . . . 0.94 109.298 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 p -77.05 99.74 5.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.27 0.557 . . . . 1.17 110.871 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -111.43 -170.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.683 . . . . 1.38 110.833 -178.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.5 ' O ' ' HB3' ' A' ' 54' ' ' ASP . . . -159.56 103.98 0.24 Allowed Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.948 -0.644 . . . . 1.24 112.111 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' ' 53' ' ' GLY . 24.5 t70 100.22 156.41 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.097 1.359 . . . . 1.98 110.815 174.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 42.6 mt-10 -56.72 -34.86 67.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.714 0.292 . . . . 2.21 111.656 -176.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.92 -39.71 79.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.878 0.37 . . . . 2.04 110.55 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -67.75 -30.77 70.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.106 0.479 . . . . 2.16 110.075 175.295 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.554 HD12 HD23 ' A' ' 26' ' ' LEU . 23.2 tp -60.95 -41.54 96.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.557 -0.747 . . . . 0.83 110.417 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 33.9 mtmt -55.69 -37.79 68.79 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.767 0.794 . . . . 2.26 110.893 -179.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 22.0 mtpp -76.75 -42.96 39.05 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.434 -1.257 . . . . 2.35 110.987 -176.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -63.47 -37.31 86.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.147 0.499 . . . . 0.47 109.879 175.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.689 HG23 ' HB2' ' A' ' 99' ' ' ALA . 20.3 mt -56.36 -49.74 75.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.083 -0.962 . . . . 0.83 111.634 177.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -67.55 -38.51 84.24 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.958 -0.297 . . . . 2.76 110.645 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 55.4 mtmt -64.76 -38.0 89.51 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.785 0.326 . . . . 2.11 110.588 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.52 69.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.005 0.431 . . . . 0.38 110.48 176.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -33.0 72.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.575 -0.739 . . . . 1.36 111.019 178.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.543 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 6.7 m-20 -67.06 -60.29 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.424 -0.353 . . . . 1.68 111.091 174.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.7 mt -59.36 -37.83 71.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 116.22 -0.445 . . . . 0.51 111.345 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.506 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -55.58 -48.56 74.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.297 0.57 . . . . 0.53 111.355 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.571 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 91.0 mttt -86.32 -10.33 54.67 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.293 -0.867 . . . . 1.5 112.356 -170.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 68.3 mttm -68.67 -34.15 75.19 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 109.414 -0.587 . . . . 2.71 109.414 172.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -126.71 -53.5 1.44 Allowed 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.881 1.437 . . . . 2.22 114.881 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -113.64 15.78 18.78 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 114.1 1.148 . . . . 2.41 114.1 -162.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.571 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -55.6 0.04 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 115.277 1.584 . . . . 3.38 115.277 -172.504 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.1 t -50.38 -39.03 45.66 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 108.894 -0.78 . . . . 2.75 108.894 169.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -170.08 140.25 1.95 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.189 -0.914 . . . . 2.76 109.098 170.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.12 142.0 40.16 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.187 -0.461 . . . . 0.71 110.619 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -126.43 136.44 52.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.237 -0.438 . . . . 1.67 110.102 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.42 ' HB ' HG22 ' A' ' 103' ' ' VAL . 68.3 mt -122.09 120.62 61.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.989 -0.55 . . . . 0.49 110.197 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.547 HD22 HD12 ' A' ' 82' ' ' LEU . 0.3 OUTLIER -95.56 124.59 39.67 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 108.627 -0.879 . . . . 1.4 108.627 175.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.66 ' HB ' HG12 ' A' ' 105' ' ' VAL . 72.9 mt -116.09 101.26 11.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-O 120.937 0.399 . . . . 0.38 110.319 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.547 HD12 HD22 ' A' ' 80' ' ' LEU . 8.7 mp -81.57 128.14 33.61 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.997 -0.547 . . . . 1.61 109.827 173.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.2 pt? -152.59 149.78 28.82 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 110.04 -0.356 . . . . 1.17 110.04 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -104.48 101.08 10.76 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-O 121.987 0.899 . . . . 2.04 110.012 173.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.407 ' HD3' HD12 ' A' ' 83' ' ' LEU . 21.6 ptmt -172.5 165.23 3.69 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 114.342 -1.299 . . . . 2.02 108.669 172.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -68.28 123.52 10.66 Favored 'Trans proline' 0 CA--C 1.516 -0.401 0 C-N-CA 122.319 2.013 . . . . 0.85 111.773 175.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.434 HG11 HG23 ' A' ' 105' ' ' VAL . 84.3 t -132.47 119.03 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 115.593 -0.731 . . . . 1.17 111.27 -176.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.3 p -99.89 166.36 12.92 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.434 -0.58 . . . . 1.44 109.434 173.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_exo -46.64 -41.54 24.12 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.667 2.245 . . . . 1.14 113.322 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 31.7 tt0 -56.86 -36.07 69.63 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.345 -0.389 . . . . 2.43 111.078 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -69.9 -41.23 74.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.427 -0.351 . . . . 3.78 111.275 -178.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.05 -35.52 71.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.332 0.587 . . . . 1.46 110.189 176.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.554 ' O ' ' HG3' ' A' ' 97' ' ' LYS . 60.9 tttp -69.24 -34.39 74.73 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 115.384 -0.826 . . . . 3.25 110.155 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 62.4 mttm -63.08 -42.67 99.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.136 0.493 . . . . 2.44 109.89 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.474 ' HG ' HG11 ' A' ' 105' ' ' VAL . 3.9 mm? -72.03 -36.23 69.61 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.823 -0.626 . . . . 1.14 110.739 178.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -64.11 -25.92 68.31 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.954 0.407 . . . . 2.2 110.086 172.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 61.7 mtpt -74.4 -40.5 61.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 2.87 111.556 175.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -71.86 -51.48 22.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.864 0.364 . . . . 3.64 111.049 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.689 ' HB2' HG23 ' A' ' 62' ' ' ILE . . . -94.88 132.54 39.59 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.294 -0.412 . . . . 0.6 110.448 -178.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -90.29 95.61 10.27 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 118.858 -1.137 . . . . 1.77 109.11 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -178.12 -177.81 0.62 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 113.385 -1.734 . . . . 0.5 107.67 178.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -87.78 91.49 8.77 Favored 'General case' 0 C--N 1.314 -0.963 0 C-N-CA 119.667 -0.813 . . . . 1.77 109.417 170.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.454 HG11 ' HB3' ' A' ' 95' ' ' LEU . 7.4 t -82.27 134.25 27.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.367 -0.833 . . . . 1.05 111.308 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.477 ' O ' HD23 ' A' ' 80' ' ' LEU . 57.5 mtm180 -127.16 105.11 8.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.609 -0.723 . . . . 2.71 109.274 172.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.66 HG12 ' HB ' ' A' ' 81' ' ' ILE . 27.6 m -88.55 111.11 22.04 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-O 121.588 0.708 . . . . 0.71 110.2 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.637 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 6.4 mmp_? -104.33 119.22 38.47 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.913 -0.585 . . . . 2.63 110.411 -176.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 6.4 t -77.13 99.4 5.37 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.848 0.832 . . . . 0.64 109.948 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.3 m -94.41 145.93 7.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.71 -0.677 . . . . 1.34 110.605 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 2.2 p -127.85 -9.86 5.49 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.002 -0.545 . . . . 1.22 111.516 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -155.31 154.87 29.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 119.572 -0.252 . . . . 0.93 110.917 -177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 115' ' ' LYS . 80.3 Cg_exo -45.78 -51.52 8.13 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 123.208 2.605 . . . . 0.6 113.344 178.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.94 -30.15 68.87 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.436 -0.347 . . . . 2.04 111.677 -178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -69.54 -41.26 76.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.916 0.388 . . . . 2.21 109.977 179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.52 -46.19 91.07 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.695 -0.684 . . . . 0.48 110.505 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.477 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 46.6 mtpt -65.27 -30.73 71.63 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.584 -0.734 . . . . 1.53 110.923 -178.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.449 ' NH2' ' HD3' ' A' ' 119' ' ' LYS . 6.6 tpm_? -60.65 -49.16 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.801 -0.636 . . . . 4.21 110.841 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 70.8 m95 -77.48 -38.06 49.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.968 -0.56 . . . . 0.99 111.651 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.12 -29.49 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.032 0.444 . . . . 0.57 110.657 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.449 ' HD3' ' NH2' ' A' ' 116' ' ' ARG . 63.5 tttp -67.73 -52.56 36.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.18 -0.464 . . . . 2.66 111.106 -179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -19.26 63.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.928 0.394 . . . . 2.48 111.02 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.442 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 34.3 t80 -71.5 -35.57 70.82 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.138 -0.483 . . . . 1.43 110.592 177.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.3 p -96.25 -9.09 31.17 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.876 -0.602 . . . . 1.31 111.025 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -125.28 79.06 1.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.138 -0.483 . . . . 2.53 110.817 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.664 -0.684 . . . . 2.76 109.871 175.207 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.56 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 53.1 ttp . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 110.272 -0.27 . . . . 2.17 110.272 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.4 m -102.96 139.64 38.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.811 0.339 . . . . 0.82 110.211 176.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.444 ' HB2' HD22 ' A' ' 47' ' ' LEU . 75.6 mt -109.44 125.23 52.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.093 -0.503 . . . . 0.39 110.448 -177.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 54.7 m-85 -115.81 147.51 40.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.194 -0.457 . . . . 1.3 110.461 -178.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 10.2 t -132.84 117.67 30.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.332 -0.395 . . . . 1.08 110.168 176.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -98.32 159.75 14.74 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.532 -1.285 . . . . 1.18 107.532 168.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.714 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 15.9 tt -150.32 122.95 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.07 -0.652 . . . . 0.55 111.828 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 58' ' ' LEU . 2.5 mp -110.41 80.08 1.27 Allowed 'General case' 0 CA--C 1.511 -0.525 0 N-CA-C 108.666 -0.864 . . . . 1.24 108.666 167.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.45 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 67.1 m -149.22 144.41 26.53 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.263 -1.335 . . . . 1.27 108.805 175.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -144.75 90.41 2.07 Favored 'General case' 0 C--N 1.32 -0.7 0 C-N-CA 118.732 -1.187 . . . . 2.75 112.335 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.573 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 9.6 t70 -118.06 142.44 47.39 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.721 -1.585 . . . . 1.57 106.721 155.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 13.4 mptt -58.59 -46.74 86.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 119.116 0.871 . . . . 2.93 110.871 -175.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -70.11 -42.51 72.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.9 0.381 . . . . 3.44 110.33 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.573 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 46.2 tp -52.0 -52.0 53.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.405 -0.816 . . . . 1.46 111.152 178.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.5 mt -63.26 -35.5 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.908 -0.587 . . . . 0.69 110.93 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 32' ' ' LYS . 49.1 mt-10 -61.38 -62.44 1.83 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.575 -0.284 . . . . 2.15 110.304 177.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.456 ' HB3' ' HD3' ' A' ' 115' ' ' LYS . 44.7 mt-10 -57.97 -33.07 68.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 2.05 111.192 -177.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.57 -55.64 14.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 0.51 110.957 177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HA ' ' CD2' ' A' ' 49' ' ' LEU . 41.5 ttm180 -65.75 -41.43 92.16 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 120.629 -0.428 . . . . 2.96 111.009 -177.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 66.2 mttm -48.48 -40.26 25.87 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.211 0.319 . . . . 1.88 111.65 -177.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.544 ' SD ' ' HD3' ' A' ' 119' ' ' LYS . 16.8 mmt -70.32 -47.76 59.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.331 -0.395 . . . . 1.68 111.065 -179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -71.22 -26.98 63.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.028 0.442 . . . . 0.49 110.908 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -66.71 -40.51 88.46 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.913 0.863 . . . . 2.41 109.032 177.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -78.63 -34.85 46.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 114.433 -1.258 . . . . 3.63 110.828 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.479 ' HB1' ' OG ' ' A' ' 122' ' ' SER . . . -83.5 -5.33 59.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.713 -0.676 . . . . 0.66 111.769 -176.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 61.42 46.79 7.28 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.514 -0.766 . . . . 2.18 111.296 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.451 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 35.0 mt -101.3 155.21 18.17 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.711 -0.478 . . . . 0.59 109.711 179.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.6 mt -86.45 89.89 3.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.483 0.658 . . . . 0.53 109.886 177.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 39' ' ' ARG . 48.7 tp -95.15 120.91 36.17 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.016 -0.993 . . . . 1.14 110.271 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 40.9 mt -111.03 103.37 15.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.628 -0.508 . . . . 0.94 109.628 178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.434 ' HA ' ' CG2' ' A' ' 27' ' ' ILE . 3.3 m -83.0 108.95 16.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 1.17 110.64 -176.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.3 m -123.24 -177.38 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.388 -0.597 . . . . 1.38 109.388 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -163.09 93.26 0.11 Allowed Glycine 0 N--CA 1.44 -1.059 0 C-N-CA 120.122 -1.037 . . . . 1.24 111.972 171.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 32.5 t70 164.83 150.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 124.245 1.018 . . . . 1.98 108.592 176.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -65.14 -42.34 93.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.191 0.441 . . . . 2.21 112.191 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 28.8 mm-40 -80.86 -39.2 26.87 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.157 -0.474 . . . . 2.04 110.11 -176.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' HB3' ' HB3' ' A' ' 54' ' ' ASP . 41.3 tt0 -59.89 -34.08 72.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.498 . . . . 2.16 110.643 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.447 HD13 HD13 ' A' ' 28' ' ' LEU . 63.4 tp -59.54 -42.11 91.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 0.83 110.371 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -66.26 -20.06 66.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.87 -0.604 . . . . 2.26 110.919 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 5.5 mmmm -86.58 -47.05 9.56 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.321 -0.854 . . . . 2.35 109.95 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.29 -42.42 99.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.482 -0.781 . . . . 0.47 110.456 176.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 43.6 mt -58.4 -45.53 89.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.405 -0.816 . . . . 0.83 111.082 175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -67.77 -32.29 72.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.805 0.336 . . . . 2.76 110.414 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.606 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.7 tttp -61.39 -48.7 80.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.255 -0.429 . . . . 2.11 110.019 173.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.1 -41.27 92.17 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.073 -0.512 . . . . 0.38 110.542 177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -54.74 -49.46 70.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.315 -0.857 . . . . 1.36 110.505 174.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.473 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 29.7 t70 -63.6 -48.18 78.39 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.521 -0.763 . . . . 1.68 111.658 -178.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 64' ' ' LYS . 82.8 mt -53.3 -49.23 53.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 120.911 0.386 . . . . 0.51 111.526 -175.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -75.53 -48.7 21.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.181 -0.463 . . . . 0.53 111.663 -176.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.58 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 35.5 ttmt -61.03 -28.81 69.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.766 0.654 . . . . 1.5 112.766 -170.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 64.0 mtpt -58.91 -38.81 79.78 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.612 -0.435 . . . . 2.71 110.468 178.23 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 73' ' ' ASN . 12.7 pm0 -125.26 -52.54 1.63 Allowed 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.503 1.297 . . . . 2.22 114.503 -177.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.417 ' N ' ' HG2' ' A' ' 72' ' ' GLN . 9.8 p30 -112.09 13.45 20.64 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 114.935 1.457 . . . . 2.41 114.935 -159.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.58 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 3.1 p -65.55 14.21 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 113.583 0.957 . . . . 3.38 113.583 -177.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -58.22 -33.46 69.35 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 109.318 -0.623 . . . . 2.75 109.318 170.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -166.24 100.51 0.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.064 -0.971 . . . . 2.76 109.469 172.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.429 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . -119.1 141.23 48.97 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.046 -0.525 . . . . 0.71 109.83 176.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.56 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 54.7 mtmt -124.66 136.79 54.21 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.894 -0.41 . . . . 1.67 109.894 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.1 mt -133.18 136.61 54.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.074 -0.512 . . . . 0.49 111.096 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 42.5 mt -105.87 142.2 35.99 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 109.9 -0.407 . . . . 1.4 109.9 171.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.438 HD13 HG12 ' A' ' 105' ' ' VAL . 4.5 mp -114.59 97.72 6.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 N-CA-C 108.2 -1.037 . . . . 0.38 108.2 163.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.714 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.2 tm? -75.77 111.02 10.68 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.865 -1.061 . . . . 1.61 108.834 177.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.8 158.13 43.91 Favored 'General case' 0 C--N 1.316 -0.873 0 O-C-N 121.84 -0.537 . . . . 1.17 111.959 -175.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -104.65 101.77 11.39 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 108.125 -1.065 . . . . 2.04 108.125 173.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -175.81 148.38 0.97 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 114.821 -1.081 . . . . 2.02 108.527 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -67.27 118.76 5.82 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.703 1.602 . . . . 0.85 110.68 170.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.43 138.94 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.146 0.498 . . . . 1.17 111.626 -175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.7 m -100.89 150.28 36.9 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.874 -0.603 . . . . 1.44 110.203 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -50.29 -45.57 33.18 Favored 'Trans proline' 0 CA--C 1.528 0.209 0 C-N-CA 122.399 2.066 . . . . 1.14 112.362 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -60.42 -40.57 91.49 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.183 -0.462 . . . . 2.43 110.232 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 51.6 t80 -60.81 -36.62 79.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 3.78 110.896 178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -59.7 -32.76 70.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.08 0.467 . . . . 1.46 111.126 179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 61.9 mmtt -73.69 -21.94 60.09 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.379 -0.601 . . . . 3.25 109.379 -175.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -68.1 -33.6 74.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.878 -0.601 . . . . 2.44 110.138 174.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.423 ' CB ' HG11 ' A' ' 103' ' ' VAL . 3.3 mm? -75.27 -33.84 61.3 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.941 -0.392 . . . . 1.14 109.941 176.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.461 ' HG2' ' H ' ' A' ' 103' ' ' VAL . 60.9 mt-30 -66.09 -25.45 67.02 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.441 0.639 . . . . 2.2 109.51 171.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -76.15 -29.42 57.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.655 -0.702 . . . . 2.87 111.118 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -73.48 -50.53 21.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.851 0.358 . . . . 3.64 110.957 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.32 129.36 56.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.058 -0.519 . . . . 0.6 110.126 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -83.66 101.43 11.51 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.754 -0.832 . . . . 1.77 108.754 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -175.62 -169.62 0.36 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.148 -1.387 . . . . 0.5 107.278 -178.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -97.33 88.98 4.58 Favored 'General case' 0 N--CA 1.436 -1.17 0 C-N-CA 119.56 -0.856 . . . . 1.77 108.919 171.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.461 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -84.42 123.85 39.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.77 -1.105 . . . . 1.05 110.639 -178.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -120.61 108.79 14.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.462 -0.79 . . . . 2.71 109.087 174.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.438 HG12 HD13 ' A' ' 81' ' ' ILE . 28.3 m -81.1 133.85 28.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-O 120.987 0.422 . . . . 0.71 109.916 -178.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.515 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 11.9 mmm180 -113.89 112.79 23.92 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.868 -0.333 . . . . 2.63 110.157 -175.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 9.3 t -84.14 134.78 34.57 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.119 -0.491 . . . . 0.64 109.961 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.44 157.01 42.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.208 0.527 . . . . 1.34 111.396 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.7 p -128.4 -13.06 4.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.355 -0.838 . . . . 1.22 110.37 173.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.418 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 56.4 m -153.72 148.25 19.4 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.014 -0.539 . . . . 0.93 110.22 -178.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.567 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 74.9 Cg_exo -52.8 -29.59 43.39 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 124.389 3.393 . . . . 0.6 114.27 -173.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.518 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 6.2 m-20 -63.82 -42.82 97.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.442 -0.344 . . . . 2.04 111.309 -176.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.449 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 13.4 mm-40 -77.38 -30.29 53.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.441 -0.345 . . . . 2.21 110.163 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.39 -52.27 64.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.083 -0.508 . . . . 0.48 110.587 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 64.5 pttt -67.92 -26.79 66.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.035 -0.53 . . . . 1.53 110.307 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.449 ' HB3' ' O ' ' A' ' 113' ' ' GLU . 72.9 ttt180 -60.42 -57.45 12.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.669 -0.696 . . . . 4.21 111.417 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.515 ' CD1' ' HB3' ' A' ' 106' ' ' ARG . 9.3 m95 -57.78 -38.56 75.66 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 116.449 -0.341 . . . . 0.99 111.194 -174.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.69 -42.63 93.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.917 -0.583 . . . . 0.57 111.643 -176.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.544 ' HD3' ' SD ' ' A' ' 41' ' ' MET . 9.3 mtmp? -70.42 -42.74 71.2 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.97 -0.292 . . . . 2.66 111.169 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -67.9 -28.96 67.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.735 0.303 . . . . 2.48 110.669 -178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -74.97 -30.96 61.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.86 -0.609 . . . . 1.43 110.891 178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.479 ' OG ' ' HB1' ' A' ' 45' ' ' ALA . 33.6 t -79.32 -38.51 35.04 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.978 -0.555 . . . . 1.31 110.386 179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.9 74.95 1.02 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.182 -0.463 . . . . 2.53 110.321 -178.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.019 -0.991 . . . . 2.76 110.376 175.777 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 110.22 -0.289 . . . . 2.17 110.22 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.1 m -89.12 138.92 30.98 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.987 -0.285 . . . . 0.82 110.27 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.421 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 58.2 mt -108.63 112.22 24.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.271 -0.422 . . . . 0.39 110.398 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.412 ' HB2' HG12 ' A' ' 79' ' ' ILE . 48.9 m-85 -105.88 148.75 27.24 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.755 -0.657 . . . . 1.3 109.532 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 p -137.19 132.84 46.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-O 121.635 0.731 . . . . 1.08 110.988 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.511 HD23 HD12 ' A' ' 58' ' ' LEU . 9.4 mp -116.53 158.6 23.39 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 114.734 -1.121 . . . . 1.18 109.106 177.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.482 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.4 tt -150.54 111.47 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.466 -0.333 . . . . 0.55 110.233 176.382 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.592 HD13 ' HB2' ' A' ' 58' ' ' LEU . 10.2 tp -98.88 78.31 2.29 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.828 0.823 . . . . 1.24 109.028 177.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.2 t -150.71 144.87 25.44 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.639 -1.164 . . . . 1.27 108.193 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.45 ' HA ' HD11 ' A' ' 35' ' ' ILE . 18.3 m120 -121.7 86.08 2.52 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 117.975 -1.49 . . . . 2.75 110.19 166.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.587 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 21.2 t70 -120.84 130.25 53.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.639 -1.164 . . . . 1.57 108.694 164.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.489 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 46.4 mttp -62.42 -29.64 70.65 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.604 0.594 . . . . 2.93 112.604 -176.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -84.53 -47.43 10.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.916 0.389 . . . . 3.44 110.66 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.587 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 18.0 tp -57.72 -50.04 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.579 -0.737 . . . . 1.46 111.478 178.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.45 HD11 ' HA ' ' A' ' 30' ' ' ASN . 63.6 mt -59.54 -39.86 80.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.363 -0.38 . . . . 0.69 111.327 -176.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 47.8 mm-40 -58.4 -56.92 15.9 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.969 -0.292 . . . . 2.15 110.996 177.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -62.09 -40.62 96.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.766 0.317 . . . . 2.05 111.125 -176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.17 -43.74 94.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.51 110.686 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -67.27 -48.8 66.63 Favored 'General case' 0 C--O 1.215 -0.73 0 C-N-CA 120.509 -0.476 . . . . 2.96 110.875 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 94.8 mttt -48.93 -47.87 43.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.152 0.501 . . . . 1.88 110.955 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.6 tpt -62.28 -43.05 99.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.535 -0.757 . . . . 1.68 111.958 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -85.66 -29.73 23.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.49 111.502 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.46 -44.86 95.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.946 -0.57 . . . . 2.41 109.976 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -11.47 57.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.846 -0.615 . . . . 3.63 111.343 178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.38 2.06 54.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.936 0.398 . . . . 0.66 110.538 178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 59.6 40.18 20.49 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.287 -0.87 . . . . 2.18 110.759 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.408 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 21.8 mt -95.98 156.68 16.23 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.932 -0.576 . . . . 0.59 109.662 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 52.9 mt -90.29 92.82 4.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.338 0.589 . . . . 0.53 109.512 176.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 51.1 tp -91.25 128.88 37.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.219 -0.9 . . . . 1.14 110.762 -178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.76 98.91 6.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.234 -0.654 . . . . 0.94 109.234 175.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.7 m -80.17 119.83 23.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.029 -0.532 . . . . 1.17 110.455 -177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.473 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 3.4 m -135.38 140.26 45.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.325 -0.398 . . . . 1.38 110.536 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.579 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -129.54 95.38 0.36 Allowed Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 119.76 -1.21 . . . . 1.24 112.392 177.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 17.1 t70 152.83 145.63 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.121 1.368 . . . . 1.98 108.42 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.1 -49.52 66.31 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.05 0.452 . . . . 2.21 111.493 -177.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 11.4 mm-40 -67.77 -33.83 75.6 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.839 -0.619 . . . . 2.04 110.712 -175.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 22.7 mm-40 -64.21 -30.84 71.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 2.16 111.732 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.592 ' HB2' HD13 ' A' ' 28' ' ' LEU . 33.9 tp -63.61 -39.06 93.4 Favored 'General case' 0 CA--C 1.518 -0.265 0 N-CA-C 109.479 -0.563 . . . . 0.83 109.479 176.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -60.48 -30.44 69.69 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 121.445 0.641 . . . . 2.26 110.616 178.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 6.1 mmmm -76.66 -44.93 31.85 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.953 -1.021 . . . . 2.35 110.458 -177.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.95 96.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.832 -0.622 . . . . 0.47 110.217 177.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.6 mt -58.06 -47.85 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.37 -0.832 . . . . 0.83 110.805 176.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -71.32 -32.34 68.48 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.484 -0.326 . . . . 2.76 111.075 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -64.17 -44.78 91.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 2.11 109.979 176.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.41 99.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.38 110.232 175.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -54.76 -40.96 69.9 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.407 -0.815 . . . . 1.36 110.901 176.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.55 -49.91 29.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.873 -0.603 . . . . 1.68 111.457 -179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.54 -39.14 81.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.788 0.327 . . . . 0.51 111.003 -177.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.6 -58.08 10.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.53 110.821 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.63 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 90.2 mttt -63.89 -31.9 73.24 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.21 -0.45 . . . . 1.5 111.419 -177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.3 tttp -49.88 -44.59 50.0 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.908 -0.587 . . . . 2.71 110.264 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 9.9 pt20 -125.3 -55.39 1.56 Allowed 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 114.685 1.365 . . . . 2.22 114.685 -176.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 72' ' ' GLN . 1.7 t-20 -117.02 15.61 15.09 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 115.243 1.572 . . . . 2.41 115.243 -159.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.63 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 3.9 p -60.32 12.67 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 115.242 1.571 . . . . 3.38 115.242 -172.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 m -61.81 -36.58 81.56 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 108.595 -0.891 . . . . 2.75 108.595 168.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -157.35 112.19 2.73 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.965 -1.016 . . . . 2.76 109.352 173.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.95 127.2 56.15 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.266 -0.424 . . . . 0.71 109.999 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.6 mtpt -118.94 122.1 41.47 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.991 0.424 . . . . 1.67 109.87 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 46.2 mt -119.31 140.3 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.847 -0.615 . . . . 0.49 110.362 -176.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.04 115.24 28.04 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.858 -0.793 . . . . 1.4 108.858 173.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.1 mt -104.1 105.74 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.072 0.463 . . . . 0.38 110.883 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 106' ' ' ARG . 73.3 mt -88.37 143.48 26.98 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.015 -0.735 . . . . 1.61 109.015 173.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -167.28 166.81 14.53 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.377 -0.231 . . . . 1.17 110.377 177.706 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 29.0 mt-10 -102.75 102.19 12.33 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.2 -1.037 . . . . 2.04 108.2 169.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -174.6 132.24 0.49 Allowed Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.156 -0.475 . . . . 2.02 110.125 -178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.35 117.7 4.72 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.562 1.508 . . . . 0.85 109.852 168.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.6 m -121.15 128.07 75.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.189 0.519 . . . . 1.17 112.165 -173.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.9 m -91.92 156.93 42.05 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.837 -0.619 . . . . 1.44 109.529 174.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -45.55 -41.41 18.55 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 123.118 2.545 . . . . 1.14 113.787 -176.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.578 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 42.3 mt-10 -62.71 -32.9 74.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.441 -0.345 . . . . 2.43 111.697 -178.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -69.04 -30.65 69.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.783 0.325 . . . . 3.78 110.709 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -68.02 -38.7 82.87 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.393 -0.595 . . . . 1.46 109.393 173.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -73.39 -27.05 61.26 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.525 -0.761 . . . . 3.25 110.672 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.578 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 30.3 mtpp -62.34 -51.29 68.22 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.077 0.465 . . . . 2.44 109.79 174.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 54.8 mt -69.71 -36.09 75.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.828 -0.623 . . . . 1.14 110.343 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -66.09 -24.58 66.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.698 -0.683 . . . . 2.2 110.046 176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 18.3 tppt? -80.38 -29.01 37.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.249 -0.432 . . . . 2.87 111.365 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -73.89 -46.35 45.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.957 0.408 . . . . 3.64 110.838 -178.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.06 133.87 51.04 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.095 -0.502 . . . . 0.6 109.964 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -76.53 101.64 5.73 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.61 -0.885 . . . . 1.77 108.61 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.67 -177.31 0.96 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.259 -1.337 . . . . 0.5 108.568 -176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 5.2 pt-20 -115.6 89.66 3.15 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 121.751 0.786 . . . . 1.77 109.239 169.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 9.9 p -86.33 144.82 8.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.718 -0.674 . . . . 1.05 110.713 -175.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.34 116.0 27.54 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.361 -0.977 . . . . 2.71 108.361 170.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.5 m -87.47 134.35 27.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 C-N-CA 120.42 -0.512 . . . . 0.71 109.738 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.581 ' HB2' HD23 ' A' ' 82' ' ' LEU . 29.8 mmt180 -132.49 137.74 47.31 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.302 -0.259 . . . . 2.63 110.302 -178.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 10.0 t -91.01 128.96 37.04 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.211 0.529 . . . . 0.64 109.843 176.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.432 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 13.2 m -117.83 107.76 22.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.66 0.743 . . . . 1.34 110.931 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 4.8 p -105.01 1.88 29.06 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.692 -0.685 . . . . 1.22 110.717 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.6 m -154.22 152.26 26.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.829 -0.623 . . . . 0.93 109.928 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 78.5 Cg_exo -51.78 -45.51 37.8 Favored 'Trans proline' 0 C--O 1.236 0.415 0 C-N-CA 122.638 2.226 . . . . 0.6 112.726 -178.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.453 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 8.9 m-20 -60.84 -32.34 71.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.675 -0.693 . . . . 2.04 111.811 -175.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -56.7 -44.02 81.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.92 0.391 . . . . 2.21 110.742 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -62.92 -58.11 8.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.532 -0.758 . . . . 0.48 111.731 -175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 65.6 pttt -64.59 -28.68 69.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 1.53 111.281 -174.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -62.8 -49.75 73.72 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.117 -0.492 . . . . 4.21 110.699 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 65.5 m95 -63.46 -42.77 98.63 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.171 -0.468 . . . . 0.99 110.439 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.6 mt -56.82 -38.61 59.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 115.806 -0.634 . . . . 0.57 111.337 -177.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -59.16 -45.21 91.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.024 0.44 . . . . 2.66 111.133 -179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -80.89 -18.5 47.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.17 -0.468 . . . . 2.48 111.248 -178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 80.7 t80 -81.11 -42.2 21.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.946 -0.57 . . . . 1.43 111.169 179.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.5 p -77.12 -43.79 32.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.539 -0.301 . . . . 1.31 111.07 -177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -101.09 109.93 21.89 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.68 0.276 . . . . 2.53 110.501 177.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.474 -0.774 . . . . 2.76 109.786 175.765 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.544 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 1.5 pmm? . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.598 0.237 . . . . 2.17 110.71 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.41 ' HB ' ' CE2' ' A' ' 24' ' ' PHE . 13.2 m -95.62 143.38 26.96 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.688 -0.486 . . . . 0.82 109.688 172.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.37 114.23 28.29 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.019 0.438 . . . . 0.39 110.743 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.483 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 65.6 m-85 -109.77 136.71 48.66 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.925 -0.58 . . . . 1.3 109.826 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.61 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 91.2 t -117.96 128.63 75.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.452 0.644 . . . . 1.08 110.334 176.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.518 HD23 HD12 ' A' ' 58' ' ' LEU . 11.2 mp -114.01 151.77 31.93 Favored 'General case' 0 C--N 1.307 -1.268 0 N-CA-C 108.489 -0.93 . . . . 1.18 108.489 173.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.572 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.7 tt -143.0 117.24 3.98 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 109.82 -0.437 . . . . 0.55 109.82 177.534 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD13 ' HB2' ' A' ' 58' ' ' LEU . 7.8 tp -111.56 79.72 1.24 Allowed 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.809 0.814 . . . . 1.24 109.462 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.5 t -149.37 144.13 26.21 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 107.442 -1.318 . . . . 1.27 107.442 171.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -113.8 84.94 2.11 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 117.622 -1.631 . . . . 2.75 110.046 169.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.646 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 9.2 t70 -121.53 129.26 52.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 113.681 -1.6 . . . . 1.57 107.924 166.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -65.53 -29.81 70.49 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.345 0.498 . . . . 2.93 112.345 -171.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.504 ' HD2' ' N ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -89.08 -42.93 11.43 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.872 0.368 . . . . 3.44 110.3 -176.761 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.646 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 16.3 tp -56.58 -48.19 77.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.774 -0.648 . . . . 1.46 110.934 176.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.6 mt -58.84 -38.25 71.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-N 116.04 -0.527 . . . . 0.69 111.263 -178.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.563 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.6 mm-40 -67.01 -60.0 3.0 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.826 -0.35 . . . . 2.15 111.301 178.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.49 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 32.8 mm-40 -59.46 -31.74 69.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.868 0.322 . . . . 2.05 111.868 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -58.78 -49.03 79.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.889 0.376 . . . . 0.51 110.405 176.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.528 ' HG3' ' HG2' ' A' ' 43' ' ' GLU . 32.9 ttm180 -76.89 -26.44 54.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.453 -0.34 . . . . 2.96 110.907 -179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 70.0 mmtt -54.17 -47.72 71.69 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.472 0.653 . . . . 1.88 109.395 173.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 93.5 mmm -71.36 -47.9 53.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.094 -0.957 . . . . 1.68 110.856 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.06 -42.65 89.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.702 0.63 . . . . 0.49 112.702 -174.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HG2' ' HG3' ' A' ' 39' ' ' ARG . 5.4 mm-40 -57.39 -41.52 80.44 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.984 0.421 . . . . 2.41 110.411 178.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 1.5 mptm? -77.69 -29.01 51.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.735 -0.666 . . . . 3.63 111.118 178.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -83.74 5.3 25.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.445 -0.343 . . . . 0.66 111.755 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.3 m-80 61.44 33.25 18.73 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.969 -0.559 . . . . 2.18 110.598 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.412 ' CD1' HG23 ' A' ' 118' ' ' ILE . 90.5 mt -100.79 132.04 46.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.039 -0.528 . . . . 0.59 110.372 -178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.7 mt -79.95 93.73 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.347 -0.612 . . . . 0.53 109.347 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.61 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -99.14 124.91 44.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.008 -0.542 . . . . 1.14 110.466 -176.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.403 ' N ' HD12 ' A' ' 50' ' ' ILE . 4.5 mp -107.8 109.12 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.943 -0.572 . . . . 0.94 109.734 176.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.88 116.16 17.31 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.067 -0.515 . . . . 1.17 111.535 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.405 HG23 HD12 ' A' ' 28' ' ' LEU . 3.4 m -136.45 142.08 39.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.233 -0.439 . . . . 1.38 110.23 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.588 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -135.21 93.44 0.24 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 119.539 -1.315 . . . . 1.24 111.656 175.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.588 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 16.2 t70 151.63 139.11 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 124.854 1.262 . . . . 1.98 107.652 -176.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.438 ' CD ' ' H ' ' A' ' 55' ' ' GLU . 1.8 mp0 -63.67 -23.92 67.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.669 0.271 . . . . 2.21 111.062 -175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.504 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 10.1 mm-40 -84.33 -33.43 23.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.513 -0.312 . . . . 2.04 110.873 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.63 -32.12 73.51 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.833 -0.347 . . . . 2.16 110.264 174.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.518 HD12 HD23 ' A' ' 26' ' ' LEU . 28.4 tp -63.69 -36.16 82.92 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.946 -0.391 . . . . 0.83 109.946 176.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.504 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 34.5 mmtm -58.93 -30.46 67.88 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.528 0.68 . . . . 2.26 110.481 179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.2 mmmt -84.97 -40.31 17.08 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.054 -0.975 . . . . 2.35 110.569 -175.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.11 -43.92 85.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.873 -0.603 . . . . 0.47 110.841 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 58' ' ' LEU . 83.2 mt -57.81 -50.67 76.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.83 111.114 179.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -68.35 -31.77 71.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 2.76 110.665 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.5 tttp -64.49 -46.59 82.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 2.11 109.911 177.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.64 86.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.799 -0.637 . . . . 0.38 110.612 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.663 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 8.6 t70 -56.48 -54.14 49.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.591 -0.731 . . . . 1.36 110.404 176.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 6.9 m-20 -59.84 -48.27 82.35 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.971 -0.559 . . . . 1.68 111.934 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 64' ' ' LYS . 76.5 mt -58.96 -36.6 62.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 120.901 0.382 . . . . 0.51 111.074 -176.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.483 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -66.43 -44.33 83.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.922 -0.581 . . . . 0.53 111.538 -178.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 29.6 mmtp -70.47 -31.44 68.57 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-N 116.302 -0.408 . . . . 1.5 111.549 -172.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 30.3 mtpp -52.03 -42.48 63.1 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 123.57 0.544 . . . . 2.71 110.418 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -124.88 -50.89 1.7 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.435 1.272 . . . . 2.22 114.435 -174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -114.15 17.43 17.7 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.767 1.395 . . . . 2.41 114.767 -159.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.63 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 2.8 p -59.59 12.52 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.748 1.388 . . . . 3.38 114.748 -176.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.2 m -58.33 -31.95 68.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.744 -0.835 . . . . 2.75 108.744 166.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.544 ' O ' ' HA ' ' A' ' 21' ' ' MET . 27.4 tt0 -170.15 146.84 3.06 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.013 -0.994 . . . . 2.76 109.167 174.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.4 125.11 25.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.968 0.414 . . . . 0.71 110.757 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HE3' ' NH2' ' A' ' 104' ' ' ARG . 39.4 mttp -111.8 122.4 47.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.936 -0.575 . . . . 1.67 109.818 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.478 ' HB ' HG23 ' A' ' 103' ' ' VAL . 55.9 mt -124.25 128.86 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.302 -0.408 . . . . 0.49 110.124 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.6 tp -111.76 115.29 28.83 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.865 -0.42 . . . . 1.4 109.865 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.0 mt -102.19 99.85 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 121.101 -0.24 . . . . 0.38 110.649 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.641 HD23 ' HB3' ' A' ' 106' ' ' ARG . 46.5 mt -90.7 99.18 12.26 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.956 0.408 . . . . 1.61 110.133 179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.9 OUTLIER -120.69 165.23 15.36 Favored 'General case' 0 C--N 1.313 -1.002 0 O-C-N 122.305 -0.247 . . . . 1.17 110.433 -178.231 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.19 100.74 10.32 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 107.981 -1.118 . . . . 2.04 107.981 171.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -175.42 137.81 0.54 Allowed Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 114.896 -1.047 . . . . 2.02 109.26 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -67.21 119.31 6.33 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 121.776 1.651 . . . . 0.85 110.024 168.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.4 m -124.25 145.24 31.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.572 0.701 . . . . 1.17 112.485 -172.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.0 t -100.51 144.58 28.75 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 114.999 -1.0 . . . . 1.44 109.252 172.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.08 -17.26 30.72 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.473 2.782 . . . . 1.14 112.731 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.511 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 13.8 tp10 -64.68 -44.7 89.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.979 0.418 . . . . 2.43 110.211 174.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -71.2 -28.08 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 3.78 110.196 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.31 -42.9 99.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.848 -0.615 . . . . 1.46 109.667 173.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.07 -29.94 69.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.73 -0.668 . . . . 3.25 110.503 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 57.0 mttm -70.72 -43.74 68.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.373 -0.376 . . . . 2.44 110.219 178.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 82.7 mt -72.87 -34.9 67.02 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.048 0.451 . . . . 1.14 110.344 177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.436 HE21 ' HB3' ' A' ' 96' ' ' GLN . 1.0 OUTLIER -66.37 -27.06 67.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.79 -0.641 . . . . 2.2 109.551 176.249 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -80.17 -21.19 43.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.919 -0.582 . . . . 2.87 111.137 176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -74.83 -42.71 57.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 3.64 110.414 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.35 132.99 56.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.927 -0.579 . . . . 0.6 109.907 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -75.89 101.55 5.2 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.969 -0.752 . . . . 1.77 108.969 -179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.5 -170.15 0.4 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.18 -1.373 . . . . 0.5 108.53 -175.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.583 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 4.7 pt-20 -116.35 89.08 3.03 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.776 0.798 . . . . 1.77 109.193 167.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.478 HG23 ' HB ' ' A' ' 79' ' ' ILE . 5.3 p -82.43 136.87 22.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.486 0.66 . . . . 1.05 109.802 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.498 ' NH2' ' HE3' ' A' ' 78' ' ' LYS . 97.2 mtt180 -114.79 99.78 7.75 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 108.454 -0.943 . . . . 2.71 108.454 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 19.6 m -72.94 136.68 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 109.135 -0.691 . . . . 0.71 109.135 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.641 ' HB3' HD23 ' A' ' 82' ' ' LEU . 15.1 tpp180 -138.94 127.78 23.53 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.788 0.328 . . . . 2.63 110.716 -174.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 15.1 t -90.47 126.36 35.88 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.193 0.52 . . . . 0.64 110.054 177.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 24.6 m -114.73 143.99 23.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.159 -0.473 . . . . 1.34 110.415 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 1.6 p -107.53 -39.66 5.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.097 -0.502 . . . . 1.22 111.768 -178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.0 m -134.4 160.55 68.06 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 119.416 -0.326 . . . . 0.93 110.624 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.451 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 81.1 Cg_exo -47.66 -46.65 20.37 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.873 2.382 . . . . 0.6 113.237 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.03 -29.59 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 2.04 111.706 -176.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 116' ' ' ARG . 28.5 mm-40 -63.64 -40.18 96.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.72 0.295 . . . . 2.21 110.518 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.65 -47.93 81.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.856 -0.424 . . . . 0.48 109.856 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -57.29 -42.66 82.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.646 -0.706 . . . . 1.53 110.349 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 113' ' ' GLU . 54.9 ttt180 -51.13 -56.23 13.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.107 -0.951 . . . . 4.21 111.53 175.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -71.77 -34.65 69.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.305 -0.407 . . . . 0.99 111.492 -176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.412 HG23 ' CD1' ' A' ' 47' ' ' LEU . 57.3 mt -58.15 -49.27 82.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.519 -0.309 . . . . 0.57 111.427 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -65.3 -40.4 93.74 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.921 -0.312 . . . . 2.66 110.841 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -68.09 -30.16 69.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 2.48 111.125 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -75.74 -33.36 60.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.211 -0.45 . . . . 1.43 110.161 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.6 m -68.28 -43.38 77.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.687 -0.688 . . . . 1.31 110.235 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -98.0 74.12 2.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.046 -0.525 . . . . 2.53 110.012 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.486 ' HG3' HH12 ' A' ' 104' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.247 0.967 0 N-CA-C 108.998 -0.741 . . . . 2.76 108.998 -179.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.476 ' HB3' ' HB3' ' A' ' 76' ' ' GLU . 1.6 pmm? . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.006 -0.368 . . . . 2.17 110.006 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 m -98.57 130.49 45.12 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.256 -0.578 . . . . 0.82 110.148 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.1 mt -105.3 130.07 53.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.289 -0.414 . . . . 0.39 110.25 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.741 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 61.1 m-85 -117.83 152.15 35.94 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.151 -0.477 . . . . 1.3 110.99 -177.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 p -133.42 124.37 48.5 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-O 121.766 0.793 . . . . 1.08 110.196 171.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 58' ' ' LEU . 8.5 mp -105.67 152.8 22.69 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-N 114.659 -1.155 . . . . 1.18 109.041 175.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 5.6 tp -139.57 108.88 3.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 109.759 -0.46 . . . . 0.55 109.759 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.492 HD12 HG13 ' A' ' 52' ' ' VAL . 7.4 tp -97.21 76.44 2.63 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 119.294 -0.963 . . . . 1.24 108.606 177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.3 m -149.58 141.78 24.07 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.813 -1.539 . . . . 1.27 108.223 174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -114.09 84.75 2.09 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 117.538 -1.665 . . . . 2.75 109.928 166.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 14.3 t70 -122.1 118.79 29.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.284 -1.326 . . . . 1.57 107.996 164.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 45.6 mtmt -65.4 -24.37 67.2 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 111.808 0.299 . . . . 2.93 111.808 -174.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HD3' ' H ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -83.75 -39.13 20.46 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.067 0.46 . . . . 3.44 109.981 -179.272 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.534 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 14.8 tp -64.81 -51.63 61.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.592 -0.731 . . . . 1.46 111.016 178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.7 mt -51.81 -36.69 19.55 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.232 0 O-C-N 123.787 0.679 . . . . 0.69 110.743 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 15.6 mm-40 -59.46 -56.97 15.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.999 -0.546 . . . . 2.15 111.284 178.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' HA ' ' HG2' ' A' ' 40' ' ' LYS . 38.3 mt-10 -73.37 -30.19 63.14 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.804 -0.358 . . . . 2.05 111.34 -175.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.62 -38.2 86.75 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.103 -0.703 . . . . 0.51 109.103 173.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 6.8 ttm-85 -71.09 -46.18 62.29 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.479 -0.782 . . . . 2.96 110.236 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 24.7 mmtp -55.6 -46.21 77.33 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.977 0.418 . . . . 1.88 110.377 -177.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.1 tpt -66.06 -44.92 83.13 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.741 -0.663 . . . . 1.68 110.992 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.27 -27.64 59.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.888 0.375 . . . . 0.49 111.396 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.499 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 3.5 tm-20 -63.59 -44.06 95.12 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.496 -0.927 . . . . 2.41 108.496 178.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 93.1 mttt -72.84 -24.01 60.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.728 -1.124 . . . . 3.63 111.133 178.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.66 -1.99 58.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.66 111.548 -178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.5 m120 62.31 35.35 15.23 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.864 -0.607 . . . . 2.18 111.495 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.413 HD12 HG23 ' A' ' 118' ' ' ILE . 69.8 mt -96.63 148.61 22.68 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.643 -0.708 . . . . 0.59 110.246 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.485 ' HB ' ' CD1' ' A' ' 24' ' ' PHE . 4.9 mm -79.66 107.58 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.342 -0.614 . . . . 0.53 109.342 175.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 39' ' ' ARG . 39.8 tp -90.91 129.63 36.93 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.867 0.365 . . . . 1.14 111.073 -178.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.42 107.95 22.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.117 -0.492 . . . . 0.94 109.706 173.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.2 p -81.93 126.53 32.04 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.671 -0.695 . . . . 1.17 110.184 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.492 HG13 HD12 ' A' ' 28' ' ' LEU . 4.1 p -153.45 141.0 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.572 -0.285 . . . . 1.38 110.692 -175.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -140.19 96.38 0.21 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.195 -1.003 . . . . 1.24 112.465 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.51 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.7 t70 152.25 141.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.435 1.494 . . . . 1.98 107.358 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -71.17 -28.73 64.46 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 120.829 0.347 . . . . 2.21 111.322 -172.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 10.1 mm-40 -80.61 -32.59 36.3 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.981 -0.748 . . . . 2.04 108.981 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.443 ' CG ' ' HB3' ' A' ' 54' ' ' ASP . 19.5 mm-40 -71.55 -24.94 62.03 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.535 -0.757 . . . . 2.16 110.653 176.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.545 ' CD1' HD23 ' A' ' 26' ' ' LEU . 52.6 tp -65.55 -34.63 78.71 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.427 -0.582 . . . . 0.83 109.427 174.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 59.6 mttm -60.36 -27.26 67.24 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.581 0.705 . . . . 2.26 110.273 174.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -88.7 -38.0 15.09 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.049 -0.978 . . . . 2.35 110.712 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.67 91.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.339 -0.391 . . . . 0.47 110.835 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.28 -46.79 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.03 -0.532 . . . . 0.83 110.581 176.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 tppt? -66.76 -34.98 79.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.397 . . . . 2.76 110.599 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' HG13 ' A' ' 68' ' ' ILE . 87.0 tttt -57.49 -44.09 84.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.907 -0.588 . . . . 2.11 110.353 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.77 -41.5 71.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.839 -0.619 . . . . 0.38 110.971 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -52.84 -46.97 68.03 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.807 -0.633 . . . . 1.36 111.068 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.31 -40.84 90.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.993 -0.549 . . . . 1.68 111.616 -177.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 64' ' ' LYS . 82.3 mt -61.82 -43.23 97.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-O 121.081 0.467 . . . . 0.51 110.456 -179.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.741 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -73.84 -57.51 3.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.62 -0.718 . . . . 0.53 112.095 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.673 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 21.3 ttmm -69.02 -29.03 67.11 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.393 -0.822 . . . . 1.5 112.629 -163.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -64.58 -31.8 73.18 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 2.71 110.903 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -122.35 -50.54 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.709 1.003 . . . . 2.22 113.709 -172.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -111.03 17.66 20.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.85 0.357 . . . . 2.41 111.821 -166.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.673 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 96.9 p -52.39 -3.89 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 115.191 1.552 . . . . 3.38 115.191 -172.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.7 t -51.48 -36.81 46.01 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 109.371 -0.603 . . . . 2.75 109.371 173.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HB3' ' HB3' ' A' ' 21' ' ' MET . 28.9 tt0 -159.46 130.19 5.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.633 -0.712 . . . . 2.76 109.687 170.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.05 123.04 39.48 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.195 -0.457 . . . . 0.71 109.953 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm -126.54 133.66 51.05 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.842 0.353 . . . . 1.67 110.227 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 58.1 mt -125.23 131.33 72.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.054 -0.521 . . . . 0.49 110.166 -177.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.74 108.55 20.08 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.179 -0.674 . . . . 1.4 109.179 176.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.613 HG22 HD22 ' A' ' 83' ' ' LEU . 76.2 mt -94.72 108.15 20.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.176 -0.61 . . . . 0.38 110.036 175.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 88.7 mt -91.87 120.05 32.2 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.254 -0.647 . . . . 1.61 109.254 172.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.613 HD22 HG22 ' A' ' 81' ' ' ILE . 1.2 pt? -140.81 155.33 46.4 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.669 -0.241 . . . . 1.17 110.456 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -107.08 99.4 8.96 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 121.884 0.85 . . . . 2.04 110.241 175.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -174.81 163.97 2.41 Favored Pre-proline 0 C--N 1.319 -0.732 0 CA-C-N 114.067 -1.424 . . . . 2.02 108.199 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -66.65 119.6 6.64 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 121.796 1.664 . . . . 0.85 111.172 170.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.0 m -124.52 130.38 73.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.278 0.561 . . . . 1.17 111.396 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.3 p -100.18 167.96 10.16 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.816 -0.629 . . . . 1.44 109.767 176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.04 -31.01 88.86 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 121.749 1.633 . . . . 1.14 111.443 172.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -71.77 -33.09 68.33 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.075 -0.511 . . . . 2.43 110.589 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -65.72 -45.63 81.97 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.472 -0.566 . . . . 3.78 109.472 175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -61.84 -43.02 99.68 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.845 -0.616 . . . . 1.46 110.324 176.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -58.03 -35.26 71.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.02 -0.536 . . . . 3.25 110.88 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -65.17 -36.76 85.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.25 -0.432 . . . . 2.44 110.944 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.441 HD12 HG11 ' A' ' 105' ' ' VAL . 87.2 mt -86.5 -35.23 19.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.201 0.524 . . . . 1.14 110.603 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.58 ' HA ' ' CG1' ' A' ' 103' ' ' VAL . 64.7 tt0 -69.41 -27.66 65.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.582 -0.735 . . . . 2.2 110.661 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -81.32 -27.17 35.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.49 -0.323 . . . . 2.87 110.925 172.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -62.92 -45.88 90.4 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.88 0.371 . . . . 3.64 111.195 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -112.51 154.05 26.52 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.212 -0.449 . . . . 0.6 110.55 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -92.15 99.01 11.89 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.81 -0.811 . . . . 1.77 108.81 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.96 -175.42 0.59 Allowed 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.091 -1.413 . . . . 0.5 107.509 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -109.4 87.66 2.55 Favored 'General case' 0 C--N 1.309 -1.175 0 N-CA-C 108.332 -0.988 . . . . 1.77 108.332 167.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.58 ' CG1' ' HA ' ' A' ' 96' ' ' GLN . 3.3 p -98.59 122.04 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 115.409 -0.814 . . . . 1.05 110.503 -177.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -113.01 131.16 55.88 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.068 -0.969 . . . . 2.71 108.962 -177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.544 HG12 ' HB ' ' A' ' 81' ' ' ILE . 3.4 m -113.78 129.84 68.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-O 121.251 0.548 . . . . 0.71 110.216 -173.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' HD23 ' A' ' 82' ' ' LEU . 2.4 mmp_? -121.09 137.02 54.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.019 -0.537 . . . . 2.63 110.317 -176.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 5.3 t -87.56 115.81 25.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.382 0.611 . . . . 0.64 110.366 177.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.5 m -118.33 122.29 69.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.969 -0.56 . . . . 1.34 111.026 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.2 p -105.47 1.67 27.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.183 -0.462 . . . . 1.22 111.786 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 m -153.53 157.16 32.76 Favored Pre-proline 0 C--N 1.329 -0.312 0 O-C-N 122.4 -0.188 . . . . 0.93 110.934 -178.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.534 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 82.4 Cg_exo -50.31 -52.97 7.89 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.093 2.529 . . . . 0.6 113.452 177.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 4.5 m-20 -62.33 -29.0 70.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.377 -0.374 . . . . 2.04 111.651 -175.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -60.78 -47.38 86.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.158 0.504 . . . . 2.21 109.824 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.432 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -64.77 -47.61 77.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.596 -0.729 . . . . 0.48 110.77 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 26.3 mtpp -56.55 -36.76 69.64 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.777 -0.647 . . . . 1.53 110.811 -179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.4 -58.03 9.15 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.683 -0.689 . . . . 4.21 111.166 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 23.2 m95 -66.13 -31.52 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.381 -0.372 . . . . 0.99 111.843 -173.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.3 mt -59.42 -45.49 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.922 0.391 . . . . 0.57 110.52 177.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -73.1 -28.01 62.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 2.66 111.142 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -71.71 -44.93 63.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.945 0.402 . . . . 2.48 110.383 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -63.92 -28.82 70.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.837 -0.619 . . . . 1.43 110.96 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.8 m -64.4 -30.05 71.1 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.054 0.455 . . . . 1.31 110.656 178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -91.57 7.4 41.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.008 -0.542 . . . . 2.53 111.363 -175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.397 -0.811 . . . . 2.76 110.025 177.814 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.476 ' SD ' ' HG3' ' A' ' 78' ' ' LYS . 40.3 ttm . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 109.833 -0.432 . . . . 2.17 109.833 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.6 m -104.32 132.48 50.52 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.013 -0.365 . . . . 0.82 110.013 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.5 mt -99.75 123.75 44.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.09 0.471 . . . . 0.39 110.82 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 57.9 m-85 -111.39 141.46 44.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.73 -0.668 . . . . 1.3 109.95 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 59.9 t -121.22 106.81 19.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.166 0.508 . . . . 1.08 110.348 177.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' HB2' HG12 ' A' ' 81' ' ' ILE . 7.9 mp -95.32 141.43 28.9 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 108.651 -0.87 . . . . 1.18 108.651 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.681 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 12.2 tt -148.38 128.09 4.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.104 -0.638 . . . . 0.55 112.574 -174.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.462 HD11 HD13 ' A' ' 58' ' ' LEU . 6.2 mp -115.94 80.95 1.52 Allowed 'General case' 0 CA--C 1.52 -0.207 0 N-CA-C 109.251 -0.648 . . . . 1.24 109.251 171.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 t -149.17 88.69 1.6 Allowed 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.634 -0.876 . . . . 1.27 108.634 170.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -86.23 85.68 7.34 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 118.028 -1.469 . . . . 2.75 110.711 -176.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.597 ' OD2' ' HG3' ' A' ' 33' ' ' LYS . 23.8 t70 -121.11 137.05 54.84 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.106 -1.406 . . . . 1.57 107.745 163.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -55.66 28.37 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 119.067 0.849 . . . . 2.93 111.536 -171.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.597 ' HG3' ' OD2' ' A' ' 31' ' ' ASP . 13.3 pttp -64.77 -36.19 83.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.347 -0.388 . . . . 3.44 111.593 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 3.0 tm? -56.24 -53.95 51.14 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.724 0.297 . . . . 1.46 110.338 175.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.55 -36.79 75.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.064 -0.516 . . . . 0.69 110.705 -178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.63 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 6.5 mm-40 -59.24 -61.47 2.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.096 -0.502 . . . . 2.15 110.889 175.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.538 ' HB3' ' HD2' ' A' ' 115' ' ' LYS . 54.0 mm-40 -58.32 -41.86 85.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.356 -0.383 . . . . 2.05 111.996 -177.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.91 93.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.787 0.327 . . . . 0.51 111.111 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 49.6 ttt180 -69.51 -38.99 77.84 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 120.862 -0.335 . . . . 2.96 110.894 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 65.5 mttm -56.13 -31.32 63.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 1.88 110.847 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 51.2 tpp -75.7 -56.18 4.94 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.218 -0.446 . . . . 1.68 111.216 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.41 -39.23 71.25 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 112.307 0.484 . . . . 0.49 112.307 -174.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -58.32 -51.08 71.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.305 0.574 . . . . 2.41 109.459 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -66.1 -30.9 71.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.039 -0.982 . . . . 3.63 110.715 178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.56 -3.76 39.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.256 -0.429 . . . . 0.66 111.493 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.2 t30 67.35 43.23 2.03 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.581 -0.736 . . . . 2.18 110.491 179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 15.9 mt -107.2 155.97 19.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.539 -0.755 . . . . 0.59 109.214 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.1 mt -94.77 96.1 5.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.151 0.5 . . . . 0.53 109.852 176.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.2 tt -89.87 133.01 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.838 -0.619 . . . . 1.14 109.912 -178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.3 mm -118.76 102.21 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.053 -0.521 . . . . 0.94 110.24 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.81 120.38 23.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.758 0.313 . . . . 1.17 110.463 175.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.528 HG11 ' HB2' ' A' ' 61' ' ' ALA . 4.5 m -127.48 -178.12 2.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.104 0.478 . . . . 1.38 111.454 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -135.98 99.06 0.3 Allowed Glycine 0 N--CA 1.44 -1.036 0 CA-C-N 115.54 -0.755 . . . . 1.24 112.415 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.503 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 6.4 m-20 87.04 162.56 0.08 Allowed 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.0 0.92 . . . . 1.98 111.343 170.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 2.4 mp0 -47.93 -41.94 26.04 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.352 0.407 . . . . 2.21 111.359 -175.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.79 -50.27 72.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.526 -0.761 . . . . 2.04 111.106 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.459 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 31.5 mm-40 -70.22 -28.74 65.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.557 -0.292 . . . . 2.16 111.021 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.462 HD13 HD11 ' A' ' 28' ' ' LEU . 60.5 tp -63.88 -41.07 97.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.326 -0.397 . . . . 0.83 110.033 175.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.576 ' HG3' ' O ' ' A' ' 55' ' ' GLU . 67.6 mttm -56.2 -32.2 64.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.311 0.577 . . . . 2.26 111.149 178.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.482 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 6.8 mmpt? -84.32 -31.32 24.91 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 115.346 -0.843 . . . . 2.35 110.421 -177.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.528 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -71.65 -37.1 70.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.112 -0.494 . . . . 0.47 110.087 175.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 58' ' ' LEU . 95.6 mt -59.51 -51.4 73.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.595 -0.729 . . . . 0.83 110.611 177.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -71.25 -29.06 64.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.47 -0.332 . . . . 2.76 110.571 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' O ' HG13 ' A' ' 68' ' ' ILE . 85.3 tttt -65.38 -48.25 73.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.887 0.375 . . . . 2.11 110.171 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.53 -42.79 99.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.38 110.237 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -56.87 -34.79 68.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.372 -0.831 . . . . 1.36 110.861 175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 38.7 t70 -83.68 -42.67 16.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.788 -0.642 . . . . 1.68 111.755 -175.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 64' ' ' LYS . 77.4 mt -67.43 -40.4 84.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.167 0.508 . . . . 0.51 110.684 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.517 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -65.95 -60.31 2.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.685 -0.689 . . . . 0.53 111.262 -178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 23.1 ttmt -64.61 -23.96 67.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.806 -1.088 . . . . 1.5 111.509 -174.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 87.6 tttt -42.77 -50.2 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 124.182 0.927 . . . . 2.71 111.22 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -125.83 -60.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 114.508 1.299 . . . . 2.22 114.508 -176.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -118.71 -41.04 2.82 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 113.228 0.825 . . . . 2.41 113.228 -171.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.436 ' HB3' ' CA ' ' A' ' 69' ' ' ALA . 14.5 t -83.73 24.47 0.87 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.106 -0.952 . . . . 3.38 113.272 -162.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.9 m -45.98 -24.6 0.44 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.051 0.389 . . . . 2.75 112.051 178.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -112.24 98.92 7.63 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.749 -1.204 . . . . 2.76 107.749 165.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -112.61 168.69 9.45 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.821 -0.627 . . . . 0.71 110.981 -176.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.476 ' HG3' ' SD ' ' A' ' 21' ' ' MET . 44.0 mttm -129.89 126.19 37.36 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 108.374 -0.973 . . . . 1.67 108.374 172.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.56 ' HB ' HG23 ' A' ' 103' ' ' VAL . 62.0 mt -121.67 143.31 34.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.977 -0.556 . . . . 0.49 109.969 -172.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -112.18 124.34 52.24 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.04 -0.726 . . . . 1.4 109.04 176.23 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.49 HG12 ' HB2' ' A' ' 26' ' ' LEU . 80.3 mt -109.2 103.9 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.996 -0.372 . . . . 0.38 109.996 176.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.681 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 90.3 mt -99.33 140.51 33.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.875 -0.602 . . . . 1.61 109.953 176.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -163.44 156.05 18.27 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.67 -0.241 . . . . 1.17 110.722 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -99.41 99.17 10.05 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.493 -1.669 . . . . 2.04 106.493 171.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.449 ' HB3' HD13 ' A' ' 83' ' ' LEU . 24.5 ttmm -176.75 143.73 0.59 Allowed Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.234 -0.894 . . . . 2.02 109.527 -172.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.36 118.21 5.27 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.388 1.392 . . . . 0.85 110.621 170.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 m -130.93 143.8 39.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.174 0.512 . . . . 1.17 111.053 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -87.63 137.19 32.19 Favored Pre-proline 0 C--N 1.317 -0.806 0 CA-C-N 115.51 -0.768 . . . . 1.44 110.12 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.46 -20.68 41.88 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.921 2.414 . . . . 1.14 111.863 173.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -71.97 -42.27 66.72 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.297 -0.631 . . . . 2.43 109.297 175.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -66.92 -30.91 71.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.363 -0.835 . . . . 3.78 110.01 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -56.77 -40.86 76.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.768 -0.651 . . . . 1.46 110.82 174.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -81.78 -11.92 58.79 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.295 -0.412 . . . . 3.25 110.782 -177.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.18 -46.91 39.18 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.294 -1.002 . . . . 2.44 108.294 171.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 98' ' ' TYR . 9.2 mp -66.27 -38.51 87.99 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.0 -1.0 . . . . 1.14 110.581 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -67.7 -23.13 65.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.755 -0.657 . . . . 2.2 109.992 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -80.22 -38.48 31.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 2.87 111.394 176.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 95' ' ' LEU . 20.4 m-85 -61.27 -50.05 74.59 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.807 0.337 . . . . 3.64 111.226 -175.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.54 149.43 22.21 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.482 -0.562 . . . . 0.6 109.482 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -87.25 99.53 12.03 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.156 -1.053 . . . . 1.77 108.156 175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.32 178.24 1.39 Allowed 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 114.462 -1.245 . . . . 0.5 109.085 -176.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -111.74 89.37 3.04 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 109.054 -0.721 . . . . 1.77 109.054 169.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.56 HG23 ' HB ' ' A' ' 79' ' ' ILE . 6.4 p -86.67 138.39 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 121.527 0.68 . . . . 1.05 110.386 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.434 ' O ' HD23 ' A' ' 80' ' ' LEU . 67.4 ttt180 -111.58 101.24 9.66 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.023 -0.989 . . . . 2.71 108.531 178.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.51 111.15 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 110.131 -0.322 . . . . 0.71 110.131 -175.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.415 ' HB2' HD23 ' A' ' 82' ' ' LEU . 17.6 mmm180 -123.04 133.57 54.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.07 0.462 . . . . 2.63 111.06 -174.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 11.9 t -87.45 138.95 31.03 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.062 -0.517 . . . . 0.64 109.898 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.56 150.06 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.939 0.399 . . . . 1.34 110.559 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.1 p -117.52 -27.04 6.44 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.843 -0.617 . . . . 1.22 111.584 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.2 m -139.69 152.47 68.51 Favored Pre-proline 0 C--N 1.328 -0.344 0 O-C-N 122.207 -0.308 . . . . 0.93 111.284 -177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.455 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 51.3 Cg_exo -53.1 -47.76 25.8 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.651 2.234 . . . . 0.6 113.495 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -56.59 -39.78 74.12 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.063 0.459 . . . . 2.04 111.012 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 49.7 tt0 -63.24 -42.99 99.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.386 -0.825 . . . . 2.21 110.328 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.07 95.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.046 -0.524 . . . . 0.48 110.521 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.538 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 54.6 mtpt -60.3 -37.14 79.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.918 -0.583 . . . . 1.53 110.281 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.97 -44.43 96.07 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.292 -0.867 . . . . 4.21 111.152 -178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -65.44 -43.97 88.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.99 110.594 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.02 -44.03 97.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.995 0.426 . . . . 0.57 110.43 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.578 ' O ' ' HG3' ' A' ' 123' ' ' GLU . 62.1 tttp -57.22 -51.05 70.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.616 -0.72 . . . . 2.66 110.728 178.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.0 -41.78 97.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 2.48 110.728 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -67.59 -30.82 70.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.758 -0.656 . . . . 1.43 111.026 -177.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.7 t -75.67 -34.31 60.46 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.148 -0.478 . . . . 1.31 110.651 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 119' ' ' LYS . 44.7 mt-10 -74.95 -47.38 29.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.485 -0.325 . . . . 2.53 111.245 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 119.138 -0.458 . . . . 2.76 111.123 -176.31 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.187 0 CA-C-O 120.782 0.325 . . . . 2.17 110.44 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.3 m -96.54 147.45 23.85 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.765 -0.458 . . . . 0.82 109.765 175.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 78' ' ' LYS . 53.8 mt -113.46 120.58 41.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.05 0.452 . . . . 0.39 110.782 -177.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.406 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 68.8 m-85 -111.15 149.31 31.07 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.995 -0.548 . . . . 1.3 110.153 -178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.493 HG13 ' HA ' ' A' ' 49' ' ' LEU . 2.5 p -142.02 122.4 11.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.509 0.671 . . . . 1.08 111.242 177.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.7 mm? -103.24 162.85 12.64 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.072 -0.967 . . . . 1.18 108.669 176.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.647 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.6 tt -150.23 118.3 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.233 0.457 . . . . 0.55 112.233 -175.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 83' ' ' LEU . 6.0 mp -107.56 79.81 1.33 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.504 0.669 . . . . 1.24 109.863 170.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.4 t -149.57 144.81 26.46 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.085 -1.08 . . . . 1.27 108.085 169.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -122.01 86.53 2.59 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 118.389 -1.324 . . . . 2.75 110.43 166.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.654 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.1 t70 -119.9 145.16 46.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.282 -1.327 . . . . 1.57 108.506 167.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -75.38 -32.23 60.72 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 111.791 0.293 . . . . 2.93 111.791 -173.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.7 mtpp -82.62 -46.83 12.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.673 0.273 . . . . 3.44 110.675 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.763 HD13 ' HA ' ' A' ' 111' ' ' PRO . 38.6 tp -54.57 -51.28 65.76 Favored 'General case' 0 C--O 1.222 -0.356 0 CA-C-N 115.885 -0.598 . . . . 1.46 111.22 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.2 mt -58.42 -39.66 75.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-O 120.714 0.292 . . . . 0.69 111.292 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 15.2 mm-40 -69.64 -56.31 7.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.544 -0.298 . . . . 2.15 111.313 178.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -62.85 -33.03 74.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.585 -0.279 . . . . 2.05 111.439 -176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.31 -49.91 76.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.651 -0.25 . . . . 0.51 110.69 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -72.65 -34.42 67.24 Favored 'General case' 0 C--O 1.213 -0.85 0 C-N-CA 120.222 -0.591 . . . . 2.96 110.785 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.642 ' O ' ' HD3' ' A' ' 44' ' ' LYS . 68.9 mttm -61.41 -37.99 85.47 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.557 -0.457 . . . . 1.88 110.329 177.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.5 tpt -74.76 -47.38 31.3 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.309 -0.405 . . . . 1.68 110.335 176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -69.93 -31.19 68.82 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.367 0.506 . . . . 0.49 112.367 -175.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -65.9 -47.42 74.86 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.464 -0.569 . . . . 2.41 109.464 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.642 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 4.2 mptp? -73.6 -11.65 60.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.0 -0.545 . . . . 3.63 110.377 177.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' ' 122' ' ' SER . . . -97.45 1.17 48.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.914 -0.585 . . . . 0.66 110.423 176.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 56.75 43.38 25.31 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.072 -0.967 . . . . 2.18 111.889 178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.448 HD12 HG23 ' A' ' 118' ' ' ILE . 54.5 mt -104.5 141.7 35.91 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.925 -0.58 . . . . 0.59 109.943 178.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.3 mt -82.01 96.81 3.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.856 -0.424 . . . . 0.53 109.856 177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.493 ' HA ' HG13 ' A' ' 25' ' ' VAL . 19.0 tp -92.89 111.98 23.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 1.14 111.336 -177.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.484 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 5.2 mp -104.79 115.78 47.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.131 -0.486 . . . . 0.94 109.711 175.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.9 p -75.4 122.65 24.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.273 -0.421 . . . . 1.17 110.167 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 p -150.35 115.55 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.889 0.376 . . . . 1.38 110.855 -174.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -116.75 95.79 0.69 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 119.562 -1.304 . . . . 1.24 113.007 -178.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 31.4 t70 161.71 146.01 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.707 1.203 . . . . 1.98 108.919 173.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -64.44 -47.36 79.35 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.945 0.339 . . . . 2.21 111.086 -177.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 28.9 mm-40 -67.69 -37.82 82.84 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.153 -0.476 . . . . 2.04 110.01 -178.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 68.7 mm-40 -65.26 -32.87 74.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.268 -0.424 . . . . 2.16 110.826 176.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.527 ' O ' HG13 ' A' ' 62' ' ' ILE . 58.1 tp -60.7 -44.23 96.81 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.686 -0.487 . . . . 0.83 109.686 175.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -56.49 -24.39 45.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.342 0.592 . . . . 2.26 111.002 178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 45.0 mmtt -90.31 -33.82 15.96 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.294 -0.866 . . . . 2.35 110.024 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.91 -47.88 60.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.705 . . . . 0.47 111.246 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -65.83 -34.37 69.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 C-N-CA 120.304 -0.558 . . . . 0.83 109.902 177.048 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -65.34 -38.02 88.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 2.76 110.402 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -65.81 -41.29 92.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.92 -0.582 . . . . 2.11 110.198 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.32 97.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.939 -0.573 . . . . 0.38 110.193 176.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -56.69 -41.37 77.24 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.469 -0.787 . . . . 1.36 111.088 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -63.39 -50.54 69.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.616 -0.72 . . . . 1.68 111.116 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.2 mt -68.42 -35.51 70.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.286 -0.416 . . . . 0.51 110.93 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 74' ' ' SER . . . -66.57 -66.35 0.56 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.321 -0.4 . . . . 0.53 111.689 -178.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.605 ' HG2' ' HA ' ' A' ' 75' ' ' SER . 68.2 mttm -66.55 -10.92 50.07 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 112.241 0.46 . . . . 1.5 112.241 -174.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -39.95 -54.49 2.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.025 0.828 . . . . 2.71 111.387 -179.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.408 ' HG3' ' H ' ' A' ' 73' ' ' ASN . 21.3 pt20 -129.5 -61.4 1.02 Allowed 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 114.341 1.237 . . . . 2.22 114.341 -173.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.408 ' H ' ' HG3' ' A' ' 72' ' ' GLN . 30.0 p-10 -118.67 -35.6 3.68 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.612 0.597 . . . . 2.41 112.612 -175.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.492 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 46.1 m -76.05 23.31 0.14 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 3.38 112.95 -166.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.605 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 17.6 m -46.42 -27.96 1.23 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 122.774 0.43 . . . . 2.75 111.762 -179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -118.2 98.66 6.41 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.594 -0.891 . . . . 2.76 108.594 169.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.499 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . -115.89 171.95 7.45 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.057 -0.519 . . . . 0.71 110.777 -176.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.499 ' HG2' ' OE1' ' A' ' 124' ' ' GLU . 0.1 OUTLIER -108.33 131.8 54.36 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.773 -0.825 . . . . 1.67 108.773 171.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 31.1 mm -120.27 113.76 41.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 110.03 -0.359 . . . . 0.49 110.03 -178.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.536 HD12 ' O ' ' A' ' 104' ' ' ARG . 26.7 tp -94.28 126.35 39.48 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.718 -0.475 . . . . 1.4 109.718 177.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.414 HD12 HG12 ' A' ' 105' ' ' VAL . 66.6 mt -112.44 99.73 9.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.492 -0.558 . . . . 0.38 109.492 174.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.647 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.0 OUTLIER -92.63 110.49 21.92 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.41 -0.814 . . . . 1.61 109.463 -175.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.1 pp -145.37 177.87 8.51 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.78 0.324 . . . . 1.17 111.376 -177.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -117.9 102.49 9.12 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.16 -1.052 . . . . 2.04 108.16 168.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.406 ' HB3' HD13 ' A' ' 83' ' ' LEU . 40.8 ttmt -173.73 130.46 0.53 Allowed Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 114.979 -1.009 . . . . 2.02 108.998 -176.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.68 118.81 5.76 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 121.952 1.768 . . . . 0.85 110.787 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.3 m -117.19 126.37 74.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.386 0.612 . . . . 1.17 111.663 -175.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.9 m -99.38 148.39 34.62 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.595 -0.73 . . . . 1.44 110.041 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -44.09 -46.01 11.49 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 123.045 2.496 . . . . 1.14 113.217 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -59.21 -41.91 89.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.26 -0.427 . . . . 2.43 111.188 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -67.73 -39.46 84.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.481 -0.327 . . . . 3.78 110.381 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -62.82 -35.55 80.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.294 0.568 . . . . 1.46 110.016 176.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -67.95 -34.02 75.77 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.515 -0.766 . . . . 3.25 110.097 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.24 -32.71 73.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 2.44 110.141 175.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.497 HD12 HG11 ' A' ' 105' ' ' VAL . 91.9 mt -73.5 -38.23 65.43 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.077 -0.51 . . . . 1.14 110.079 176.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.454 ' HG2' ' H ' ' A' ' 103' ' ' VAL . 90.3 mt-30 -68.32 -20.11 64.72 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 121.335 0.588 . . . . 2.2 109.826 172.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -79.44 -37.78 36.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.535 -0.757 . . . . 2.87 111.166 177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -63.71 -48.59 76.46 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.912 0.387 . . . . 3.64 110.493 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -117.01 119.79 36.39 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.654 -0.498 . . . . 0.6 109.654 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -76.42 102.3 5.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.942 0.877 . . . . 1.77 110.083 -175.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.499 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -174.88 -171.98 0.58 Allowed 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 113.522 -1.672 . . . . 0.5 106.925 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -99.34 92.1 5.26 Favored 'General case' 0 C--N 1.307 -1.241 0 C-N-CA 119.409 -0.916 . . . . 1.77 109.19 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.454 ' H ' ' HG2' ' A' ' 96' ' ' GLN . 15.6 t -82.14 118.03 29.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-N 114.868 -1.06 . . . . 1.05 110.236 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.536 ' O ' HD12 ' A' ' 80' ' ' LEU . 77.6 mtp180 -101.38 101.7 12.39 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.625 -0.716 . . . . 2.71 109.083 174.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.497 HG11 HD12 ' A' ' 95' ' ' LEU . 4.0 m -91.62 140.04 16.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 N-CA-C 109.413 -0.588 . . . . 0.71 109.413 -179.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -133.77 132.04 40.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.609 0.242 . . . . 2.63 111.495 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 6.4 t -100.61 122.56 43.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.986 -0.552 . . . . 0.64 109.782 174.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.16 145.29 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.247 0.546 . . . . 1.34 111.015 -178.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 11.2 p -93.63 -29.93 15.2 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.624 -0.716 . . . . 1.22 111.387 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.5 m -149.35 160.42 34.6 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 116.366 -0.379 . . . . 0.93 110.572 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.763 ' HA ' HD13 ' A' ' 34' ' ' LEU . 95.6 Cg_exo -43.07 -44.02 9.62 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.397 2.731 . . . . 0.6 113.18 177.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 115' ' ' LYS . 13.0 t70 -51.11 -42.45 60.68 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.29 -0.868 . . . . 2.04 112.418 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -59.71 -49.19 78.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 2.21 110.972 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -59.43 -36.91 76.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.019 -0.537 . . . . 0.48 111.332 -177.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 112' ' ' ASP . 30.2 mtpp -52.38 -41.29 62.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.776 -0.647 . . . . 1.53 110.879 179.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -82.16 -32.12 30.16 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.475 . . . . 4.21 111.977 -177.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 50.4 m95 -70.78 -39.5 73.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.663 0.268 . . . . 0.99 111.236 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.448 HG23 HD12 ' A' ' 47' ' ' LEU . 91.7 mt -61.45 -36.37 72.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.153 -0.476 . . . . 0.57 110.176 177.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -60.99 -51.37 69.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.965 -0.561 . . . . 2.66 110.973 176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -63.6 -38.55 91.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.149 -0.478 . . . . 2.48 111.326 -177.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -67.71 -44.57 77.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 1.43 111.311 -178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.435 ' CB ' ' HB1' ' A' ' 45' ' ' ALA . 11.5 p -69.48 -38.54 77.72 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.58 -0.282 . . . . 1.31 111.336 -177.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -87.54 21.56 2.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.711 0.291 . . . . 2.53 111.012 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.499 ' OE1' ' HG2' ' A' ' 78' ' ' LYS . 28.5 tt0 . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.647 -0.692 . . . . 2.76 109.727 176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.3 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.757 0.313 . . . . 2.17 110.826 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 85.8 m -82.0 138.0 35.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.337 -0.616 . . . . 0.82 109.337 172.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HB2' HD22 ' A' ' 47' ' ' LEU . 85.5 mt -102.84 113.27 26.56 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.164 0.507 . . . . 0.39 110.462 -179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.504 ' CE1' HD12 ' A' ' 48' ' ' ILE . 57.0 m-85 -101.11 151.21 22.09 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.701 -0.681 . . . . 1.3 109.607 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.486 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.1 p -140.85 117.18 7.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.907 0.86 . . . . 1.08 110.984 176.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.598 HD23 HD12 ' A' ' 58' ' ' LEU . 7.5 mp -103.89 155.77 18.36 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.755 -1.112 . . . . 1.18 108.598 177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 6.1 tt -146.93 109.77 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 C-N-CA 120.601 -0.44 . . . . 0.55 111.753 -175.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.534 HD13 HD13 ' A' ' 58' ' ' LEU . 2.8 mp -96.31 82.47 3.42 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-O 121.625 0.726 . . . . 1.24 109.43 174.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 43.9 t -147.67 143.8 27.91 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.592 -1.185 . . . . 1.27 108.976 175.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -118.3 84.24 2.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 122.494 1.14 . . . . 2.75 109.272 164.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.2 t70 -122.15 163.18 19.98 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.072 -1.422 . . . . 1.57 108.011 169.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 46.9 mmtm -90.25 -34.06 15.91 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 118.643 0.656 . . . . 2.93 110.847 174.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -90.19 -43.05 10.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.672 -0.24 . . . . 3.44 111.092 -176.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.564 ' HG ' ' HA ' ' A' ' 111' ' ' PRO . 6.1 tt -56.56 -43.7 80.21 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.327 -0.397 . . . . 1.46 110.219 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.3 mt -60.32 -48.56 87.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.972 -0.558 . . . . 0.69 111.042 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 21.5 mm-40 -65.87 -45.5 81.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 2.15 111.703 -177.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 64.1 mm-40 -58.49 -37.9 76.5 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.958 0.409 . . . . 2.05 110.679 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.25 -49.53 71.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.928 -0.578 . . . . 0.51 110.516 177.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -66.44 -37.45 85.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.365 -0.379 . . . . 2.96 111.611 -177.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 98.4 mttt -49.49 -47.77 48.37 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.987 0.422 . . . . 1.88 110.774 177.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.2 mmt -76.42 -52.23 10.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.946 -0.57 . . . . 1.68 111.045 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.422 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -64.89 -39.52 93.65 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.493 0.553 . . . . 0.49 112.493 -172.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -66.05 -39.26 89.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.254 0.55 . . . . 2.41 109.811 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 44' ' ' LYS . 3.9 tmmm? -70.64 -33.22 70.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.634 -0.712 . . . . 3.63 109.251 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.54 14.72 4.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.671 -0.695 . . . . 0.66 111.048 179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.7 p30 46.24 31.25 1.17 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.246 1.019 . . . . 2.18 112.624 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 23' ' ' LEU . 42.0 mt -79.7 155.07 28.18 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.415 -0.587 . . . . 0.59 109.415 177.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.504 HD12 ' CE1' ' A' ' 24' ' ' PHE . 42.0 mt -91.27 92.31 3.87 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.252 0.549 . . . . 0.53 109.624 176.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 50.6 tp -84.68 117.06 23.55 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.184 -0.917 . . . . 1.14 110.416 -178.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 19.9 mt -110.82 101.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.204 0.526 . . . . 0.94 109.693 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.5 p -80.01 100.81 8.33 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.71 -0.677 . . . . 1.17 111.431 -177.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 13.4 m -126.11 139.04 52.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.693 -0.685 . . . . 1.38 109.764 178.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.587 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -125.01 94.15 0.45 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 119.281 -1.437 . . . . 1.24 111.867 176.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.587 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 13.3 t70 158.8 148.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 107.734 -1.21 . . . . 1.98 107.734 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -71.99 -25.11 61.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.79 0.328 . . . . 2.21 110.775 -176.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 10.5 mm-40 -82.16 -37.23 26.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.262 -0.426 . . . . 2.04 109.888 177.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 0.3 OUTLIER -70.19 -25.85 63.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.38 -0.373 . . . . 2.16 110.655 177.056 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD12 HD23 ' A' ' 26' ' ' LEU . 63.0 tp -58.75 -43.13 90.2 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.272 -0.64 . . . . 0.83 109.272 171.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -62.29 -22.67 66.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.699 -0.682 . . . . 2.26 111.787 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 26.4 mmtp -84.23 -41.3 17.08 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.819 -0.628 . . . . 2.35 109.975 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.96 -40.67 83.15 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.671 -0.695 . . . . 0.47 109.934 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.89 -46.1 91.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.395 -0.821 . . . . 0.83 111.107 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -61.74 -46.32 90.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.429 -0.35 . . . . 2.76 111.318 -179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 68' ' ' ILE . 18.4 ptpt -72.28 -27.24 62.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.814 -0.355 . . . . 2.11 110.921 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.07 -45.42 85.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.004 0.431 . . . . 0.38 110.068 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.448 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 4.7 t70 -61.68 -38.18 86.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 1.36 110.382 175.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.83 -50.86 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.538 -0.755 . . . . 1.68 111.195 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 64' ' ' LYS . 83.6 mt -64.52 -34.07 67.2 Favored 'Isoleucine or valine' 0 C--O 1.232 0.143 0 CA-C-O 121.071 0.462 . . . . 0.51 110.632 -178.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.413 ' O ' ' HB2' ' A' ' 74' ' ' SER . . . -63.93 -59.99 3.82 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.012 -0.54 . . . . 0.53 111.265 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' HE3' ' HB2' ' A' ' 100' ' ' ASP . 84.1 mttt -66.39 -12.48 57.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.676 0.621 . . . . 1.5 112.676 -175.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -44.55 -48.57 10.26 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.978 0.799 . . . . 2.71 110.753 -175.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.497 ' HG3' ' H ' ' A' ' 73' ' ' ASN . 20.4 pt20 -128.86 -62.39 1.01 Allowed 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.846 1.054 . . . . 2.22 113.846 -177.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.497 ' H ' ' HG3' ' A' ' 72' ' ' GLN . 7.9 t30 -119.97 -40.02 2.77 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.567 0.58 . . . . 2.41 112.567 -176.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 69' ' ' ALA . 15.9 m -70.96 21.18 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 114.946 1.461 . . . . 3.38 114.946 -162.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 p -47.9 -29.05 3.0 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 117.94 0.337 . . . . 2.75 111.154 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -111.47 98.59 7.57 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.336 -0.986 . . . . 2.76 108.336 167.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.99 -178.96 4.35 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.358 -0.383 . . . . 0.71 111.173 -174.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HG2' ' HB2' ' A' ' 102' ' ' GLU . 59.4 mttp -127.99 134.55 49.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.007 -0.542 . . . . 1.67 109.84 177.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.503 ' HB ' HG23 ' A' ' 103' ' ' VAL . 59.2 mt -127.75 135.94 61.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.123 -0.489 . . . . 0.49 110.145 -177.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.36 123.56 48.54 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 108.93 -0.767 . . . . 1.4 108.93 175.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.603 HG22 HD22 ' A' ' 83' ' ' LEU . 86.7 mt -110.39 107.62 23.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 N-CA-C 109.553 -0.536 . . . . 0.38 109.553 173.403 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.457 HD23 ' HB2' ' A' ' 106' ' ' ARG . 94.5 mt -92.35 99.74 12.44 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.562 -0.533 . . . . 1.61 109.562 175.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.625 ' O ' ' HA ' ' A' ' 107' ' ' THR . 1.7 pt? -124.43 137.86 54.41 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.581 -0.282 . . . . 1.17 110.778 -176.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 47.5 mt-10 -89.09 99.41 12.4 Favored 'General case' 0 N--CA 1.443 -0.797 0 C-N-CA 119.293 -0.963 . . . . 2.04 109.605 173.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -174.32 157.7 2.52 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 114.896 -1.047 . . . . 2.02 108.351 168.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.85 119.14 6.13 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 121.935 1.756 . . . . 0.85 110.878 172.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.9 m -119.11 140.65 42.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.227 0.537 . . . . 1.17 111.954 -176.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.3 t -101.07 148.86 35.69 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.42 -0.809 . . . . 1.44 109.284 173.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -48.96 -36.14 33.8 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.86 2.373 . . . . 1.14 113.007 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -59.35 -34.47 72.41 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.284 -0.416 . . . . 2.43 110.854 179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -74.63 -31.86 62.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.651 -0.249 . . . . 3.78 111.18 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.73 -45.25 94.98 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 109.42 -0.585 . . . . 1.46 109.42 173.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.57 -27.82 69.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 3.25 110.793 -178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -76.47 -36.56 57.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.55 -0.295 . . . . 2.44 110.568 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.1 mt -77.16 -35.7 55.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.544 0.687 . . . . 1.14 109.534 174.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -67.93 -19.32 64.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.68 -1.145 . . . . 2.2 109.326 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -81.15 -40.25 24.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.018 -0.992 . . . . 2.87 111.506 175.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -62.98 -47.16 84.34 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.823 0.344 . . . . 3.64 111.271 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -104.45 147.85 27.11 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.507 -0.553 . . . . 0.6 109.507 177.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.422 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 15.2 m-20 -90.47 99.1 12.19 Favored 'General case' 0 CA--C 1.506 -0.714 0 N-CA-C 108.416 -0.957 . . . . 1.77 108.416 175.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.74 176.07 2.32 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 113.866 -1.515 . . . . 0.5 108.44 178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' HB2' ' HG2' ' A' ' 78' ' ' LYS . 18.0 mt-10 -99.94 89.22 3.99 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 108.796 -0.816 . . . . 1.77 108.796 173.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.503 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.6 p -86.66 138.61 18.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 121.291 0.567 . . . . 1.05 109.965 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -117.91 100.52 7.62 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.278 -0.874 . . . . 2.71 108.649 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -78.47 129.19 37.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 120.285 -0.566 . . . . 0.71 109.778 -176.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.457 ' HB2' HD23 ' A' ' 82' ' ' LEU . 5.6 mmp_? -130.34 137.2 49.8 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 122.19 -0.319 . . . . 2.63 110.291 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.625 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 13.9 t -102.9 138.2 40.1 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.547 -0.538 . . . . 0.64 109.547 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.519 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 27.6 m -130.18 166.79 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.375 -0.375 . . . . 1.34 110.707 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.7 p -138.01 -7.46 1.61 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.32 -0.4 . . . . 1.22 111.576 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.2 m -151.91 144.58 16.92 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 111.936 0.347 . . . . 0.93 111.936 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.564 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 50.9 Cg_exo -37.06 -51.83 1.42 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 124.506 3.471 . . . . 0.6 114.886 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.488 ' HA ' ' HE2' ' A' ' 115' ' ' LYS . 2.5 m-20 -58.81 -32.09 69.05 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.172 0.434 . . . . 2.04 112.172 -175.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -66.75 -40.61 88.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.733 0.302 . . . . 2.21 110.508 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -59.8 -50.99 71.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.012 -0.54 . . . . 0.48 110.875 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.488 ' HE2' ' HA ' ' A' ' 112' ' ' ASP . 47.2 pttt -69.25 -27.88 65.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.305 -0.407 . . . . 1.53 111.062 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 32.5 tpt180 -62.01 -48.21 81.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.394 . . . . 4.21 110.584 174.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 58.3 m95 -67.26 -33.54 75.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.99 111.692 -178.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 114' ' ' ALA . 80.3 mt -61.49 -41.88 91.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.917 0.389 . . . . 0.57 110.436 178.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -66.75 -41.7 87.37 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.073 -0.512 . . . . 2.66 110.713 176.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -69.8 -23.09 63.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.773 -0.649 . . . . 2.48 111.044 -178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -90.96 -49.16 6.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.315 -0.402 . . . . 1.43 111.891 -179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 p -60.64 -65.68 0.65 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 112.071 0.397 . . . . 1.31 112.071 -172.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -84.73 -34.54 22.86 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.572 -0.451 . . . . 2.53 110.316 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.139 -0.934 . . . . 2.76 111.156 178.844 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.573 ' SD ' ' HB3' ' A' ' 76' ' ' GLU . 7.8 mmt . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 109.695 -0.483 . . . . 2.17 109.695 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.9 m -73.84 129.29 37.6 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.987 -0.375 . . . . 0.82 109.987 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.541 ' HB2' HD22 ' A' ' 47' ' ' LEU . 77.3 mt -106.76 123.58 48.34 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.196 0.522 . . . . 0.39 111.063 -174.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.458 ' CE2' HD12 ' A' ' 48' ' ' ILE . 49.5 m-85 -114.37 151.23 33.38 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.612 -0.722 . . . . 1.3 109.957 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.4 p -144.52 120.44 4.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.574 0.702 . . . . 1.08 110.747 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 58' ' ' LEU . 6.2 mp -104.04 159.55 15.58 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.489 -0.93 . . . . 1.18 108.489 178.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.772 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.3 tt -150.45 120.58 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 C-N-CA 120.515 -0.474 . . . . 0.55 112.173 -177.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.456 ' HA ' ' O ' ' A' ' 52' ' ' VAL . 1.5 mp -106.66 81.53 1.59 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.542 -0.54 . . . . 1.24 109.542 167.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.414 ' OG ' HD23 ' A' ' 34' ' ' LEU . 41.5 t -148.41 144.03 27.19 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.707 -0.679 . . . . 1.27 109.171 171.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.455 ' HA ' HD11 ' A' ' 35' ' ' ILE . 2.5 p30 -126.77 85.94 2.44 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 118.94 -1.104 . . . . 2.75 110.326 164.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.611 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 22.8 t70 -121.19 134.88 55.22 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.14 -1.391 . . . . 1.57 107.709 162.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -66.26 -30.31 70.72 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 111.934 0.346 . . . . 2.93 111.934 -174.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -81.1 -49.47 10.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.828 0.347 . . . . 3.44 110.46 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.732 HD13 ' HA ' ' A' ' 111' ' ' PRO . 12.7 tp -57.43 -47.6 81.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.82 -0.627 . . . . 1.46 111.653 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 30' ' ' ASN . 64.5 mt -57.07 -40.86 75.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.549 0.214 . . . . 0.69 110.925 -179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 39.5 mt-10 -65.89 -54.97 19.67 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.818 -0.353 . . . . 2.15 111.178 178.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -59.61 -39.71 85.13 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.66 0.266 . . . . 2.05 111.062 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.61 -45.59 89.63 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.153 -0.476 . . . . 0.51 110.689 178.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 40.5 ttt180 -67.33 -43.9 80.44 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.498 -0.319 . . . . 2.96 110.741 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.7 mttm -54.84 -42.14 71.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.473 0.178 . . . . 1.88 111.332 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.8 mmt -61.64 -55.77 27.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.78 0.324 . . . . 1.68 110.579 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -67.81 -29.54 68.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.957 -0.565 . . . . 0.49 111.729 -177.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 7.0 tp10 -63.04 -48.16 79.92 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.344 0.592 . . . . 2.41 109.56 -178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.449 ' HD3' ' O ' ' A' ' 40' ' ' LYS . 5.2 mptp? -77.57 -24.93 49.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.47 -0.786 . . . . 3.63 110.912 178.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.46 -2.68 57.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.301 -0.409 . . . . 0.66 111.24 -178.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 61.38 40.32 14.24 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.272 -0.876 . . . . 2.18 110.914 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 23' ' ' LEU . 29.8 mt -94.86 166.86 11.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.728 -0.669 . . . . 0.59 109.404 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.458 HD12 ' CE2' ' A' ' 24' ' ' PHE . 59.8 mt -101.46 95.05 3.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-O 121.142 0.496 . . . . 0.53 110.01 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 55.1 tp -87.94 135.06 33.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.513 -0.767 . . . . 1.14 110.269 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 36.8 mt -126.95 106.26 15.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.378 -0.373 . . . . 0.94 110.02 177.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.3 p -72.71 121.85 20.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.054 -0.521 . . . . 1.17 110.807 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.456 ' O ' ' HA ' ' A' ' 28' ' ' LEU . 63.9 t -140.54 138.83 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.875 0.369 . . . . 1.38 111.241 -175.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -131.78 92.99 0.29 Allowed Glycine 0 N--CA 1.439 -1.165 0 C-N-CA 119.412 -1.375 . . . . 1.24 111.289 167.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.531 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 24.1 t70 164.95 150.57 0.02 OUTLIER 'General case' 0 C--O 1.232 0.178 0 C-N-CA 123.831 0.852 . . . . 1.98 109.154 174.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -63.77 -45.77 88.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.047 0.451 . . . . 2.21 112.022 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.685 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 44.8 mt-10 -83.51 -29.85 27.6 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.165 -0.47 . . . . 2.04 111.013 -174.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.45 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 36.1 mt-10 -65.09 -29.15 70.0 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.614 -0.434 . . . . 2.16 109.988 174.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 26' ' ' LEU . 54.5 tp -58.07 -45.11 87.66 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.185 -0.672 . . . . 0.83 109.185 172.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -62.14 -25.59 67.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 2.26 111.323 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.685 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 30.9 mmtp -83.16 -38.51 22.26 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.542 -0.754 . . . . 2.35 110.442 -177.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.26 -36.39 79.35 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.39 -0.596 . . . . 0.47 109.39 174.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.453 ' CG2' ' HB2' ' A' ' 99' ' ' ALA . 85.8 mt -61.68 -49.79 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.379 -0.828 . . . . 0.83 110.493 174.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -62.59 -34.7 77.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.378 -0.374 . . . . 2.76 110.516 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.528 ' O ' HG13 ' A' ' 68' ' ' ILE . 62.6 tttp -66.62 -48.9 68.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 2.11 110.305 177.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.03 94.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.149 0.499 . . . . 0.38 110.584 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -59.21 -36.42 75.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.341 -0.845 . . . . 1.36 110.446 177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.505 ' O ' ' HG3' ' A' ' 71' ' ' LYS . 18.2 t70 -70.16 -48.22 58.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.947 -0.569 . . . . 1.68 110.705 178.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 64' ' ' LYS . 70.2 mt -56.62 -44.86 81.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 CA-C-N 115.771 -0.65 . . . . 0.51 110.967 -178.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.419 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -67.5 -56.64 8.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.696 -0.684 . . . . 0.53 111.879 -177.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.66 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 89.2 mttt -59.24 -31.22 68.87 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 113.798 1.036 . . . . 1.5 113.798 -170.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 67' ' ' ASP . 52.2 mtmt -58.22 -35.8 72.22 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.249 -0.581 . . . . 2.71 110.078 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -126.51 -54.52 1.45 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.946 1.462 . . . . 2.22 114.946 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.496 ' OD1' ' HA ' ' A' ' 21' ' ' MET . 3.3 t-20 -116.58 13.61 15.33 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 114.947 1.462 . . . . 2.41 114.947 -159.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.66 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 6.0 p -65.41 13.55 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.643 1.349 . . . . 3.38 114.643 -172.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.1 p -58.46 -41.35 84.97 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 108.866 -0.79 . . . . 2.75 108.866 171.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.573 ' HB3' ' SD ' ' A' ' 21' ' ' MET . 34.0 tt0 -152.14 116.65 5.04 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 114.918 -1.037 . . . . 2.76 109.47 170.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' O ' ' HB1' ' A' ' 101' ' ' ALA . . . -117.1 120.5 38.51 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.972 -0.558 . . . . 0.71 109.902 178.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 48.8 mttp -102.57 119.72 39.31 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.557 -0.534 . . . . 1.67 109.557 176.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.467 ' HB ' HG23 ' A' ' 103' ' ' VAL . 58.2 mt -115.55 131.43 67.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.895 -0.593 . . . . 0.49 109.686 179.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 38.4 tp -108.1 120.85 43.51 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 109.595 -0.521 . . . . 1.4 109.595 176.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 86.1 mt -104.94 99.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.233 0.54 . . . . 0.38 109.877 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.772 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 1.9 tm? -91.82 133.04 36.0 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.681 -0.859 . . . . 1.61 108.681 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.493 ' N ' HD13 ' A' ' 82' ' ' LEU . 1.0 OUTLIER -162.02 170.62 18.95 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.061 0.457 . . . . 1.17 111.603 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -112.43 103.35 11.45 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.038 -1.097 . . . . 2.04 108.038 168.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -173.63 141.05 0.86 Allowed Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.549 -0.751 . . . . 2.02 109.231 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.3 117.39 4.53 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 121.394 1.396 . . . . 0.85 110.383 170.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.0 m -128.75 128.53 67.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.442 0.639 . . . . 1.17 112.043 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -100.94 154.23 37.27 Favored Pre-proline 0 C--N 1.319 -0.736 0 CA-C-N 115.337 -0.847 . . . . 1.44 109.982 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.574 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 89.2 Cg_exo -42.61 -42.27 8.36 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 123.219 2.613 . . . . 1.14 113.479 -179.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -48.8 -41.24 32.0 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.18 0.592 . . . . 2.43 111.656 -179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -73.05 -37.67 66.76 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.095 -0.502 . . . . 3.78 110.798 -178.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.439 ' HB2' HG22 ' A' ' 105' ' ' VAL . 29.8 tt0 -63.99 -45.62 88.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.033 -0.531 . . . . 1.46 110.055 177.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' A' ' 89' ' ' PRO . 13.3 mmmm -66.15 -34.72 78.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.481 -0.782 . . . . 3.25 109.507 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.22 -50.3 74.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.869 -0.605 . . . . 2.44 110.431 178.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 73.2 mt -70.77 -34.29 71.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.903 -0.59 . . . . 1.14 110.36 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.425 HE21 ' HB3' ' A' ' 96' ' ' GLN . 1.0 OUTLIER -64.46 -31.48 72.72 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.631 -0.713 . . . . 2.2 110.055 177.263 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 93' ' ' LYS . 94.5 mttt -73.6 -30.28 62.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.512 -0.313 . . . . 2.87 111.776 177.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -72.88 -50.36 24.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.693 0.283 . . . . 3.64 111.296 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.453 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -95.37 146.12 24.62 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.698 -0.482 . . . . 0.6 109.698 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.426 ' HB2' ' HE3' ' A' ' 70' ' ' LYS . 4.7 m-20 -88.88 99.81 12.68 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.422 -0.955 . . . . 1.77 108.422 177.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 77' ' ' ALA . . . -175.32 -172.66 0.59 Allowed 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 114.306 -1.315 . . . . 0.5 108.878 -173.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.49 88.62 2.96 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 108.993 -0.743 . . . . 1.77 108.993 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.467 HG23 ' HB ' ' A' ' 79' ' ' ILE . 4.9 p -84.41 144.9 8.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.441 -0.8 . . . . 1.05 110.544 -175.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -121.76 108.49 13.56 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.001 -1.0 . . . . 2.71 108.764 175.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.439 HG22 ' HB2' ' A' ' 92' ' ' GLU . 14.8 m -84.96 130.61 35.78 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 C-N-CA 119.862 -0.735 . . . . 0.71 109.241 -178.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 106' ' ' ARG . 17.8 mmm180 -128.67 120.23 26.15 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.137 0.494 . . . . 2.63 111.196 -176.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 15.1 t -97.43 138.81 34.3 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.625 -0.716 . . . . 0.64 109.879 177.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.41 162.79 36.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.779 0.323 . . . . 1.34 111.192 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 18.8 p -124.74 -2.17 7.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.222 -0.444 . . . . 1.22 111.273 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.7 m -152.52 149.37 22.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.357 -0.383 . . . . 0.93 110.813 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.732 ' HA ' HD13 ' A' ' 34' ' ' LEU . 80.7 Cg_exo -47.02 -47.79 15.94 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.158 2.572 . . . . 0.6 113.336 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.74 -40.54 69.41 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.496 -0.775 . . . . 2.04 112.465 -174.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -57.8 -49.39 76.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.998 0.428 . . . . 2.21 111.002 -177.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -62.43 -47.25 84.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.688 -0.687 . . . . 0.48 111.827 -174.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -66.05 -28.39 68.81 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.711 -0.396 . . . . 1.53 110.541 -177.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -66.4 -49.68 66.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.457 -0.338 . . . . 4.21 110.422 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -62.33 -43.74 98.12 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.146 -0.479 . . . . 0.99 110.493 -178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 72.4 mt -63.15 -38.66 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.332 -0.394 . . . . 0.57 110.651 178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -64.23 -48.67 74.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 2.66 110.476 178.261 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -64.19 -38.13 89.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 2.48 110.723 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.79 -25.39 68.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.745 -0.661 . . . . 1.43 110.796 178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.494 ' OG ' HD11 ' A' ' 47' ' ' LEU . 16.6 m -95.49 -6.29 40.95 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.849 -0.614 . . . . 1.31 110.646 179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -130.76 67.39 1.5 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.418 0.628 . . . . 2.53 110.033 -176.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.298 -0.858 . . . . 2.76 110.584 179.75 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.4 ptp . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.337 -0.246 . . . . 2.17 110.337 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.423 ' OG1' ' HB2' ' A' ' 73' ' ' ASN . 11.8 m -81.96 133.17 35.28 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.498 -0.481 . . . . 0.82 109.878 176.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.6 mt -110.97 124.95 53.14 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.919 0.39 . . . . 0.39 110.829 -175.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.516 ' CE1' ' HB2' ' A' ' 69' ' ' ALA . 81.3 m-85 -119.24 164.08 16.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.121 -0.49 . . . . 1.3 110.566 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.578 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.7 p -149.77 114.68 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.519 0.676 . . . . 1.08 110.802 174.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.538 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.7 mm? -92.88 157.28 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.327 -0.99 . . . . 1.18 108.327 173.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.607 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.1 tt -149.97 115.56 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 C-N-CA 120.155 -0.618 . . . . 0.55 112.381 -174.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mp -106.48 77.58 1.21 Allowed 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 108.751 -0.833 . . . . 1.24 108.751 165.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.3 t -149.73 87.08 1.47 Allowed 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 107.223 -1.399 . . . . 1.27 107.223 168.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -93.41 91.28 7.09 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 118.922 -1.111 . . . . 2.75 111.554 -170.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 23.4 t70 -117.72 142.38 47.32 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.027 -0.988 . . . . 1.57 109.261 165.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -57.89 -53.96 52.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 118.388 0.54 . . . . 2.93 111.269 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -69.14 -43.68 73.86 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 116.08 -0.509 . . . . 3.44 110.849 -175.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -57.36 -53.86 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.784 -0.644 . . . . 1.46 110.594 -179.023 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.9 mt -51.52 -32.86 14.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 121.025 0.441 . . . . 0.69 111.213 -176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.6 mt-10 -77.06 -47.16 21.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.287 -0.415 . . . . 2.15 110.996 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -62.63 -37.55 86.76 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 121.059 0.457 . . . . 2.05 110.552 179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.03 -47.5 74.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.713 -0.676 . . . . 0.51 110.755 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 49.0 ttp180 -66.31 -46.32 77.31 Favored 'General case' 0 C--O 1.21 -1.009 0 C-N-CA 120.758 -0.377 . . . . 2.96 111.571 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 94.7 mttt -61.37 -30.18 70.38 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.883 0.373 . . . . 1.88 111.018 -176.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.7 tpt -76.08 -51.19 12.78 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.127 -0.488 . . . . 1.68 110.769 175.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.404 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -70.61 -28.67 65.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.348 -0.387 . . . . 0.49 111.805 -176.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 39' ' ' ARG . 7.5 tp10 -62.49 -47.29 84.62 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.08 -0.711 . . . . 2.41 109.08 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -68.32 -25.1 64.95 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.019 -0.992 . . . . 3.63 111.3 177.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.08 1.76 34.38 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.087 -0.506 . . . . 0.66 110.926 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 62.86 29.89 16.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.486 -0.779 . . . . 2.18 110.907 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.413 HD12 HG23 ' A' ' 118' ' ' ILE . 72.4 mt -93.87 128.92 40.4 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.098 -0.705 . . . . 0.59 109.098 176.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.5 mt -78.92 98.85 2.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.159 0.504 . . . . 0.53 109.871 178.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.426 ' HA ' HG13 ' A' ' 25' ' ' VAL . 34.3 tp -84.53 131.69 34.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.467 -0.788 . . . . 1.14 110.463 -178.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.538 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 65.3 mt -125.92 106.09 15.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.477 -0.564 . . . . 0.94 109.477 175.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.0 p -68.88 131.54 45.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.147 -0.479 . . . . 1.17 110.851 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.46 133.04 2.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.902 -0.59 . . . . 1.38 109.921 -176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.483 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -128.93 93.61 0.34 Allowed Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 119.252 -1.452 . . . . 1.24 112.507 177.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.483 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 24.2 t70 161.41 141.02 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 124.815 1.246 . . . . 1.98 107.65 174.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -70.64 -31.9 69.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.393 . . . . 2.21 110.856 -173.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -76.96 -39.63 49.9 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.142 -0.481 . . . . 2.04 109.822 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 14.1 mm-40 -73.48 -20.95 60.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.827 -0.624 . . . . 2.16 110.994 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.556 ' O ' HG13 ' A' ' 62' ' ' ILE . 56.3 tp -61.15 -42.38 98.45 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.468 -0.567 . . . . 0.83 109.468 172.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 mtmm -63.31 -27.29 69.22 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 121.543 0.687 . . . . 2.26 110.802 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -76.85 -43.02 37.79 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 114.656 -1.156 . . . . 2.35 110.506 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.5 -42.68 87.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.96 -0.564 . . . . 0.47 110.954 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 58' ' ' LEU . 61.5 mt -60.43 -43.15 93.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.09 0.471 . . . . 0.83 110.317 176.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -63.44 -39.35 94.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.787 -0.642 . . . . 2.76 110.542 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -61.05 -39.27 89.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.639 -0.71 . . . . 2.11 110.168 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.46 78.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.666 -0.697 . . . . 0.38 110.732 178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -53.59 -43.03 68.23 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.162 0.506 . . . . 1.36 110.741 176.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -60.41 -39.68 88.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.229 -0.896 . . . . 1.68 111.431 -178.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.451 ' HB ' ' CZ ' ' A' ' 24' ' ' PHE . 63.9 mt -76.23 -44.3 36.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.348 . . . . 0.51 110.363 179.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.516 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -53.79 -53.88 46.15 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.818 -0.628 . . . . 0.53 111.493 -178.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.661 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 46.9 mttp -68.92 -29.61 67.91 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.223 -0.899 . . . . 1.5 112.09 -174.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -55.82 -35.4 66.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.13 -0.486 . . . . 2.71 110.774 -178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -123.3 -52.74 1.83 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.761 1.023 . . . . 2.22 113.761 -173.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 12.9 m120 -111.74 19.73 17.74 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 112.346 0.499 . . . . 2.41 112.346 -168.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.661 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 84.5 p -42.48 -19.24 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.127 1.529 . . . . 3.38 115.127 -172.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 m -48.87 -39.55 26.24 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.844 0.354 . . . . 2.75 110.831 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -151.09 120.02 6.65 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.757 -0.46 . . . . 2.76 109.757 174.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.9 114.75 28.78 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.891 -0.411 . . . . 0.71 109.891 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 39.7 mtpt -119.51 127.1 52.72 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.075 0.464 . . . . 1.67 109.996 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.415 ' HB ' HG23 ' A' ' 103' ' ' VAL . 63.3 mt -128.67 145.4 35.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.85 -0.614 . . . . 0.49 110.473 -173.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.578 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 2.9 tt -110.1 133.58 53.06 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.34 -0.985 . . . . 1.4 108.34 173.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.496 ' N ' HD23 ' A' ' 80' ' ' LEU . 82.6 mt -116.17 103.38 15.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.429 -0.582 . . . . 0.38 109.429 172.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.607 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 20.1 tp -101.71 107.46 18.69 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.63 -0.714 . . . . 1.61 110.023 -174.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.512 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -134.97 164.42 27.64 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 120.99 0.424 . . . . 1.17 111.962 -174.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 44.0 tt0 -103.2 103.14 13.16 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.19 -1.041 . . . . 2.04 108.19 169.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.51 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 57.9 mttm -170.12 162.71 6.47 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 115.586 -0.734 . . . . 2.02 109.762 -174.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -84.83 118.68 2.11 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.592 2.195 . . . . 0.85 110.638 169.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -117.75 122.49 69.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.775 -0.648 . . . . 1.17 111.266 -173.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.1 m -100.52 156.72 34.89 Favored Pre-proline 0 C--N 1.316 -0.856 0 CA-C-N 115.919 -0.582 . . . . 1.44 109.678 173.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -44.98 -38.91 13.99 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.877 2.385 . . . . 1.14 113.239 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.61 -25.25 65.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.434 -0.348 . . . . 2.43 111.926 -177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.46 ' O ' ' HB3' ' A' ' 94' ' ' LYS . 42.0 t80 -76.37 -36.56 58.07 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.928 -0.397 . . . . 3.78 109.928 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -58.99 -47.98 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.044 -0.525 . . . . 1.46 110.183 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -70.15 -23.65 63.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.877 -0.601 . . . . 3.25 110.032 178.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 91' ' ' TYR . 5.1 tppp? -64.9 -51.93 59.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.249 -0.432 . . . . 2.44 109.892 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.3 mt -72.5 -32.64 66.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.041 -0.527 . . . . 1.14 110.732 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 25.6 tm0? -69.23 -22.56 63.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.046 -0.524 . . . . 2.2 109.6 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -80.28 -28.11 38.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 2.87 111.485 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -71.87 -30.73 65.72 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.013 0.375 . . . . 3.64 112.013 -177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -128.59 142.45 51.04 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.714 -0.221 . . . . 0.6 110.471 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -79.16 99.75 7.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.636 0.731 . . . . 1.77 109.167 177.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.46 -175.06 0.63 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.425 -1.261 . . . . 0.5 108.977 -177.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 8.4 pt-20 -120.11 98.46 6.09 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.765 0.793 . . . . 1.77 108.941 168.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.415 HG23 ' HB ' ' A' ' 79' ' ' ILE . 9.5 p -95.54 141.34 15.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.512 -0.767 . . . . 1.05 110.861 -173.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -109.5 98.7 8.04 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.546 -0.909 . . . . 2.71 108.546 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.6 m -85.34 123.57 39.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.626 -0.429 . . . . 0.71 110.01 -176.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -124.5 144.7 49.96 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.192 -0.318 . . . . 2.63 110.313 -175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 14.7 t -110.25 142.41 41.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.728 0.299 . . . . 0.64 110.533 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.3 m -135.5 151.7 30.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.87 0.367 . . . . 1.34 111.237 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.8 p -123.73 -14.74 7.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 1.22 111.194 177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 45.6 m -137.26 143.12 40.33 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 115.935 -0.575 . . . . 0.93 110.055 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_exo -52.94 -30.78 49.79 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.966 3.111 . . . . 0.6 114.562 -176.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -75.67 -27.74 58.44 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.819 -0.352 . . . . 2.04 111.444 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -67.45 -33.78 75.84 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.746 -0.464 . . . . 2.21 109.746 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.442 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -57.09 -52.08 66.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.495 -0.775 . . . . 0.48 110.596 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -62.81 -30.49 71.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 1.53 110.994 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 -67.0 -44.09 81.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 4.21 110.514 -179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -70.48 -33.52 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.99 110.77 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 114' ' ' ALA . 91.0 mt -60.35 -47.27 93.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.57 110.649 177.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -61.19 -36.17 79.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.335 -0.393 . . . . 2.66 110.747 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -64.82 -52.74 55.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 2.48 110.307 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -67.48 -39.67 85.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.917 -0.583 . . . . 1.43 111.78 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.4 p -75.09 -18.12 60.33 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.739 0.304 . . . . 1.31 111.482 -176.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -75.41 -59.17 2.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.445 -0.343 . . . . 2.53 110.717 -179.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 . . . . . 0 C--O 1.252 1.198 0 CA-C-O 118.989 -0.529 . . . . 2.76 110.985 -178.288 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.724 0.297 . . . . 2.17 110.481 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.414 ' HB ' ' CE1' ' A' ' 24' ' ' PHE . 25.0 m -130.45 144.09 51.18 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.37 -0.604 . . . . 0.82 109.37 176.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HB2' HD22 ' A' ' 47' ' ' LEU . 80.5 mt -105.12 107.51 18.54 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.391 0.615 . . . . 0.39 110.347 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' CE2' HD12 ' A' ' 48' ' ' ILE . 65.5 m-85 -98.31 145.04 27.07 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.467 -0.788 . . . . 1.3 109.609 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.9 p -138.06 123.34 24.16 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.497 0.665 . . . . 1.08 110.822 176.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 mt -110.1 160.63 16.3 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.855 -1.165 . . . . 1.18 107.855 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.407 HD11 HD22 ' A' ' 34' ' ' LEU . 9.0 tt -150.19 112.85 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 C-N-CA 120.537 -0.465 . . . . 0.55 111.182 -178.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 52' ' ' VAL . 1.5 tp -96.79 77.97 2.86 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 108.29 -1.004 . . . . 1.24 108.29 172.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -150.44 89.94 1.61 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.725 -1.125 . . . . 1.27 109.694 174.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -80.09 87.2 5.47 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 118.721 -1.191 . . . . 2.75 110.57 -177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.423 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 30.6 t70 -119.42 163.6 16.99 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.295 -1.32 . . . . 1.57 108.23 169.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -88.69 -32.62 17.9 Favored 'General case' 0 C--N 1.313 -0.981 0 C-N-CA 119.865 -0.734 . . . . 2.93 110.901 175.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -90.42 -42.58 10.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.695 0.283 . . . . 3.44 110.829 -177.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 1.5 tt -56.87 -47.92 79.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.873 -0.603 . . . . 1.46 110.077 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.6 mt -59.35 -44.73 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.004 -0.544 . . . . 0.69 111.079 178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 6.8 mm-40 -61.89 -54.09 46.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.596 -0.274 . . . . 2.15 111.649 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -63.49 -33.15 74.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.64 0.257 . . . . 2.05 111.437 -177.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -45.61 70.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.72 0.295 . . . . 0.51 110.761 178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -67.18 -39.25 86.4 Favored 'General case' 0 C--O 1.214 -0.767 0 C-N-CA 120.665 -0.414 . . . . 2.96 111.073 -179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.4 mttm -55.68 -36.17 66.84 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.859 0.361 . . . . 1.88 110.998 -178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -53.11 8.03 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.299 -0.41 . . . . 1.68 111.35 176.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.18 79.41 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.381 0.511 . . . . 0.49 112.381 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -65.33 -43.53 90.67 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.22 0.533 . . . . 2.41 109.692 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -72.06 -27.97 63.03 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.725 -0.67 . . . . 3.63 110.355 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.7 -0.69 31.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.64 -0.709 . . . . 0.66 110.859 177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.4 m120 62.53 35.6 14.46 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.487 -0.779 . . . . 2.18 111.017 177.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.433 HD22 ' HB2' ' A' ' 23' ' ' LEU . 17.9 mt -92.7 154.11 18.53 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.456 -0.572 . . . . 0.59 109.456 177.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.43 HD12 ' CE2' ' A' ' 24' ' ' PHE . 42.7 mt -90.75 94.93 5.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.531 -0.544 . . . . 0.53 109.531 175.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 51.8 tp -87.37 118.37 26.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.353 -0.84 . . . . 1.14 110.832 -178.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.5 mt -110.12 100.0 9.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.188 -0.671 . . . . 0.94 109.188 174.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.6 m -82.71 117.37 22.59 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.875 -0.602 . . . . 1.17 110.913 -176.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.501 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 3.1 m -136.08 141.42 41.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.732 -0.667 . . . . 1.38 110.092 -178.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.559 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -126.83 94.2 0.41 Allowed Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 119.626 -1.273 . . . . 1.24 111.947 175.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.559 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 22.4 t70 156.24 150.96 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 124.694 1.197 . . . . 1.98 108.436 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -65.75 -36.16 82.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.751 0.31 . . . . 2.21 110.996 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -80.07 -29.08 39.11 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.858 0.361 . . . . 2.04 110.338 -178.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 27.7 mm-40 -64.92 -35.67 81.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.928 -0.578 . . . . 2.16 110.136 174.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.3 tp -65.66 -35.8 81.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.288 -0.415 . . . . 0.83 110.187 177.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -57.41 -28.13 62.99 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.143 0.497 . . . . 2.26 111.377 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -90.2 -40.56 12.12 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.626 -0.715 . . . . 2.35 110.914 -177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.99 -47.38 86.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.106 0.479 . . . . 0.47 110.313 176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.7 mt -59.57 -47.84 89.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.48 -0.782 . . . . 0.83 110.931 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -68.11 -33.9 75.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.134 -0.484 . . . . 2.76 111.309 -175.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.1 ttpp -72.9 -38.53 66.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.772 0.32 . . . . 2.11 110.282 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.43 -38.6 91.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.087 0.47 . . . . 0.38 110.424 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -56.54 -44.3 80.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.345 -0.843 . . . . 1.36 111.042 176.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -67.01 -43.76 82.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.554 -0.748 . . . . 1.68 111.692 -176.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 64' ' ' LYS . 61.3 mt -63.49 -40.21 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.009 0.433 . . . . 0.51 110.975 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.429 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . . . -62.36 -66.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.677 -0.692 . . . . 0.53 112.015 -174.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -72.63 -9.8 59.03 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.44 0.533 . . . . 1.5 112.44 -172.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -44.77 -47.33 10.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.668 0.605 . . . . 2.71 110.925 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.459 ' HG3' ' H ' ' A' ' 73' ' ' ASN . 4.1 pt20 -126.71 -63.41 1.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.074 1.139 . . . . 2.22 114.074 -173.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.459 ' H ' ' HG3' ' A' ' 72' ' ' GLN . 27.7 t-20 -120.28 -40.17 2.72 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.868 0.842 . . . . 2.41 112.301 -174.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.421 ' HB3' ' HB2' ' A' ' 77' ' ' ALA . 17.1 m -77.98 24.14 0.24 Allowed 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.168 -1.378 . . . . 3.38 113.924 -162.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 p -46.4 -29.95 1.92 Allowed 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.726 0.298 . . . . 2.75 111.193 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -113.2 99.51 7.87 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.139 -1.06 . . . . 2.76 108.139 165.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.421 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . -118.09 170.06 9.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.083 -0.508 . . . . 0.71 110.862 -176.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -120.69 125.24 47.17 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.057 -0.72 . . . . 1.67 109.057 178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 49.1 mt -120.59 146.67 25.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.086 -0.507 . . . . 0.49 110.008 -175.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.4 tt -120.0 129.52 54.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 108.624 -0.88 . . . . 1.4 108.624 175.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.605 HG22 HD22 ' A' ' 83' ' ' LEU . 96.8 mt -117.78 113.27 41.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 120.831 0.348 . . . . 0.38 110.091 174.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD13 ' HB1' ' A' ' 114' ' ' ALA . 69.0 mt -92.51 101.41 13.85 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.875 -0.602 . . . . 1.61 109.56 176.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.605 HD22 HG22 ' A' ' 81' ' ' ILE . 1.5 pt? -123.44 139.2 54.26 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.912 -0.315 . . . . 1.17 111.021 -175.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -94.86 98.59 10.84 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 119.643 -0.823 . . . . 2.04 109.285 173.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -176.53 168.79 1.31 Allowed Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 114.765 -1.107 . . . . 2.02 108.028 170.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -76.45 122.67 6.63 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.062 1.841 . . . . 0.85 110.917 171.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.1 t -105.03 120.13 55.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 115.605 -0.725 . . . . 1.17 110.817 -175.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.4 m -91.5 158.7 40.27 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.15 -0.477 . . . . 1.44 110.055 176.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -49.7 -49.59 15.45 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.732 2.288 . . . . 1.14 112.459 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.693 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 4.8 mp0 -58.33 -38.81 77.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.954 -0.567 . . . . 2.43 111.395 178.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -59.45 -40.53 87.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.916 0.389 . . . . 3.78 110.166 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.82 -55.74 31.18 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.754 -0.657 . . . . 1.46 110.969 177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.461 ' HA ' ' HB3' ' A' ' 96' ' ' GLN . 19.9 ptmt -70.26 -17.76 63.12 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.744 -0.662 . . . . 3.25 111.643 -174.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.693 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 34.4 mmtp -66.46 -48.61 69.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.157 0.503 . . . . 2.44 109.72 172.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 44.4 mt -72.38 -36.53 68.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.794 -0.639 . . . . 1.14 110.118 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.461 ' HB3' ' HA ' ' A' ' 93' ' ' LYS . 28.9 tt0 -69.98 -27.98 65.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.319 -0.855 . . . . 2.2 110.736 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -82.14 -30.75 30.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.872 0.367 . . . . 2.87 111.027 174.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.56 -50.02 75.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.094 -0.503 . . . . 3.64 110.27 -177.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.52 121.95 46.04 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.933 -0.765 . . . . 0.6 108.933 172.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.83 101.15 3.66 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.525 -0.87 . . . . 1.77 109.291 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -174.82 -168.16 0.34 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.047 -1.433 . . . . 0.5 108.423 -176.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -114.69 89.93 3.22 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.69 -0.485 . . . . 1.77 109.69 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 9.0 p -87.86 131.92 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.335 0.588 . . . . 1.05 110.301 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -104.62 99.29 8.96 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 108.715 -0.846 . . . . 2.71 108.715 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.8 m -77.56 130.05 36.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.166 0.507 . . . . 0.71 110.058 -176.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' HB2' HD23 ' A' ' 82' ' ' LEU . 35.6 mmt180 -127.18 126.66 43.21 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.256 -0.429 . . . . 2.63 110.809 -177.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.521 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 10.1 t -86.62 127.07 34.9 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.051 -0.522 . . . . 0.64 109.918 178.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.1 m -127.84 156.94 40.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.235 -0.438 . . . . 1.34 110.567 -178.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 19.8 p -134.29 -20.49 1.87 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.281 -0.418 . . . . 1.22 110.866 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.5 m -143.71 147.91 40.86 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.605 -0.27 . . . . 0.93 111.481 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -46.41 -44.49 20.54 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.552 2.834 . . . . 0.6 114.272 -173.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.553 ' HA ' ' CE ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -59.08 -31.68 69.12 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.425 0.528 . . . . 2.04 112.425 -174.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.39 -45.95 74.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.046 0.451 . . . . 2.21 109.943 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.502 ' HB1' HD13 ' A' ' 82' ' ' LEU . . . -58.76 -43.91 90.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.418 -0.81 . . . . 0.48 111.301 -178.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.553 ' CE ' ' HA ' ' A' ' 112' ' ' ASP . 55.5 mtmt -59.31 -35.01 73.02 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.047 -0.524 . . . . 1.53 111.18 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.537 ' HG3' ' O ' ' A' ' 112' ' ' ASP . 96.3 mtt180 -67.32 -47.03 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 4.21 110.853 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 24.6 m95 -63.71 -42.92 97.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.094 -0.503 . . . . 0.99 110.826 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.35 -42.79 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.036 0.446 . . . . 0.57 110.471 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -59.8 -47.2 86.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.728 -0.669 . . . . 2.66 110.914 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.28 -35.38 73.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.731 0.301 . . . . 2.48 111.338 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.41 ' CB ' HD12 ' A' ' 80' ' ' LEU . 59.0 t80 -68.42 -26.19 65.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.902 0.382 . . . . 1.43 111.324 -176.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.7 t -78.03 -2.99 39.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.836 0.35 . . . . 1.31 110.473 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -103.89 23.1 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.405 . . . . 2.53 110.998 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.686 -0.673 . . . . 2.76 110.076 177.278 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 21' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.076 0 CA-C-O 120.829 0.347 . . . . 2.17 110.643 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 m -91.2 147.64 22.92 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.954 -0.758 . . . . 0.82 108.954 173.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 121' ' ' PHE . 60.2 mt -109.43 118.6 37.06 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.351 0.596 . . . . 0.39 111.569 -173.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 79' ' ' ILE . 49.7 m-85 -112.57 145.83 39.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.346 -0.843 . . . . 1.3 109.607 178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 p -145.16 130.52 13.61 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-O 121.635 0.731 . . . . 1.08 111.192 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 HD12 ' A' ' 58' ' ' LEU . 6.8 mp -102.87 159.78 15.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 114.644 -1.162 . . . . 1.18 109.508 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.9 tt -141.92 119.84 8.44 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 CA-C-O 121.011 0.434 . . . . 0.55 110.815 177.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 tp -118.63 77.47 1.18 Allowed 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.328 -0.99 . . . . 1.24 108.328 169.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 t -149.12 88.94 1.62 Allowed 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 107.254 -1.387 . . . . 1.27 107.254 172.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -85.48 89.24 7.64 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 118.172 -1.411 . . . . 2.75 111.045 -169.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.617 ' OD2' ' HG2' ' A' ' 33' ' ' LYS . 6.0 t70 -117.42 138.79 51.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.667 -1.151 . . . . 1.57 108.152 162.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -54.76 -47.49 73.81 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 112.528 0.566 . . . . 2.93 112.528 -172.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.617 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 63.2 pttt -78.43 -31.15 47.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.922 0.391 . . . . 3.44 110.679 -176.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.774 HD13 ' HA ' ' A' ' 111' ' ' PRO . 12.2 tp -66.32 -42.44 88.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.344 -0.389 . . . . 1.46 110.623 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG23 HG21 ' A' ' 51' ' ' THR . 45.0 mt -60.53 -40.49 84.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.69 111.579 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 7.6 pt-20 -77.2 -44.7 29.15 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.44 -0.504 . . . . 2.15 111.194 179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.626 ' HA ' ' CG ' ' A' ' 40' ' ' LYS . 37.3 mm-40 -65.82 -30.34 70.95 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 111.945 0.35 . . . . 2.05 111.945 -176.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.63 96.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.945 0.402 . . . . 0.51 110.005 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.4 ttp180 -74.33 -34.56 63.47 Favored 'General case' 0 C--O 1.219 -0.501 0 CA-C-N 116.271 -0.422 . . . . 2.96 110.685 177.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 33.0 mmtp -52.68 -42.76 65.05 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.533 0.682 . . . . 1.88 109.383 176.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.5 tpt -72.26 -52.5 16.08 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 114.802 -1.09 . . . . 1.68 111.492 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.28 -37.11 53.59 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.624 0.602 . . . . 0.49 112.624 -172.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -63.24 -46.6 86.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.272 0.558 . . . . 2.41 109.562 -179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -65.82 -28.87 69.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.5 -0.773 . . . . 3.63 110.249 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.18 -0.28 39.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.66 111.122 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 67.36 34.3 4.87 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.723 -0.672 . . . . 2.18 111.258 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -102.16 166.06 10.81 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.985 -0.746 . . . . 0.59 108.985 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 66.0 mt -98.62 96.72 5.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-O 121.171 0.51 . . . . 0.53 109.752 174.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.402 ' CD1' HG23 ' A' ' 51' ' ' THR . 3.3 tm? -87.03 123.09 31.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.4 -0.818 . . . . 1.14 109.501 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 55.8 mt -113.71 114.53 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.227 -0.442 . . . . 0.94 110.57 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.405 HG21 HG23 ' A' ' 35' ' ' ILE . 7.6 p -93.99 125.83 38.85 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.193 -0.458 . . . . 1.17 111.091 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.6 m -134.52 146.82 30.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.42 -0.355 . . . . 1.38 110.508 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -122.57 94.48 0.52 Allowed Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 119.959 -1.115 . . . . 1.24 111.619 173.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 15.7 t70 140.78 141.82 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.207 1.803 . . . . 1.98 107.505 177.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -72.39 -22.14 61.17 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.877 0.37 . . . . 2.21 111.149 -173.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.472 ' HA ' ' HG2' ' A' ' 59' ' ' LYS . 10.5 mm-40 -83.74 -27.81 28.65 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.713 -0.477 . . . . 2.04 109.713 177.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.77 -31.49 70.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 2.16 109.885 170.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.539 ' O ' HG13 ' A' ' 62' ' ' ILE . 23.9 tp -61.07 -40.37 93.42 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.937 -0.574 . . . . 0.83 109.591 175.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' HG2' ' HA ' ' A' ' 56' ' ' GLU . 43.1 mmtm -56.96 -33.16 66.77 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.466 0.651 . . . . 2.26 110.714 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 24.3 mmmt -79.69 -39.15 31.93 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.931 -1.032 . . . . 2.35 110.624 -176.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.02 81.25 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.997 -0.547 . . . . 0.47 110.106 177.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 58' ' ' LEU . 98.8 mt -60.36 -52.68 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.698 -0.683 . . . . 0.83 110.624 176.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 66' ' ' ASP . 62.4 tttm -69.76 -32.19 70.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.495 -0.32 . . . . 2.76 110.633 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.402 ' O ' HG13 ' A' ' 68' ' ' ILE . 38.9 ttpt -64.62 -41.26 96.31 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.164 -0.31 . . . . 2.11 110.164 177.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.71 -43.29 98.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.918 0.39 . . . . 0.38 109.975 175.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.506 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 9.0 t70 -54.81 -52.94 61.09 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.362 -0.836 . . . . 1.36 110.474 174.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.77 -47.63 84.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.578 -0.737 . . . . 1.68 112.105 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 64' ' ' LYS . 75.3 mt -66.97 -36.05 76.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.82 0.343 . . . . 0.51 111.128 -177.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.04 -63.62 1.1 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.259 -0.428 . . . . 0.53 111.767 -176.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 14.3 ptpt -69.75 -10.81 59.78 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.651 0.611 . . . . 1.5 112.651 -173.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -45.71 -46.18 14.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.931 0.77 . . . . 2.71 110.406 -177.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 24.3 pt20 -128.82 -59.14 1.14 Allowed 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.874 1.065 . . . . 2.22 113.874 -177.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.418 ' N ' ' HG3' ' A' ' 72' ' ' GLN . 25.4 p-10 -118.19 -36.83 3.48 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.528 0.936 . . . . 2.41 113.528 -171.166 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -89.18 24.54 2.12 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 113.554 0.946 . . . . 3.38 113.554 -159.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.414 ' HA ' ' HB3' ' A' ' 70' ' ' LYS . 22.7 t -44.75 -34.36 2.24 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 111.874 0.324 . . . . 2.75 111.874 -176.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -111.61 99.46 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.03 -0.729 . . . . 2.76 109.03 168.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.21 164.05 12.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.755 -0.657 . . . . 0.71 111.846 -173.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -106.07 122.94 47.2 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.206 -1.035 . . . . 1.67 108.206 169.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.603 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 41.8 mt -127.62 134.16 66.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 110.127 -0.323 . . . . 0.49 110.127 -177.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.447 HD13 ' CG ' ' A' ' 121' ' ' PHE . 7.4 mp -109.91 139.79 44.61 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.799 0.333 . . . . 1.4 110.287 171.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.517 HG22 HD22 ' A' ' 83' ' ' LEU . 82.5 mt -116.82 106.22 19.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 N-CA-C 108.677 -0.86 . . . . 0.38 108.677 172.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.7 mp -91.0 98.71 11.94 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.604 -0.517 . . . . 1.61 109.604 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.627 ' H ' HD23 ' A' ' 83' ' ' LEU . 1.5 pt? -128.13 147.22 50.54 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.177 -0.465 . . . . 1.17 110.756 -174.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -97.86 98.53 9.9 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 119.604 -0.838 . . . . 2.04 109.829 174.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -174.62 163.94 2.52 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 114.63 -1.168 . . . . 2.02 108.851 170.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.84 119.42 6.45 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.215 1.943 . . . . 0.85 111.23 173.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.424 HG22 ' HB ' ' A' ' 107' ' ' THR . 28.4 m -131.07 120.37 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.629 0.728 . . . . 1.17 111.47 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.0 t -88.5 153.07 50.39 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.529 -0.76 . . . . 1.44 109.911 176.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.44 -30.12 62.3 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.317 2.011 . . . . 1.14 111.355 171.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -68.06 -40.31 82.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.578 -0.737 . . . . 2.43 109.654 175.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -67.63 -39.51 84.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.173 -0.921 . . . . 3.78 109.868 177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -58.2 -38.04 75.97 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 115.843 -0.617 . . . . 1.46 110.728 176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -59.59 -29.4 67.94 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.374 -0.376 . . . . 3.25 111.293 178.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -64.18 -46.04 85.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.066 0.46 . . . . 2.44 110.214 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -80.5 -33.36 36.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.947 -0.57 . . . . 1.14 110.589 -177.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.412 ' HB2' HG12 ' A' ' 103' ' ' VAL . 10.0 tt0 -68.85 -30.8 69.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.949 -0.569 . . . . 2.2 110.272 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -81.7 -26.18 34.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.09 -0.504 . . . . 2.87 110.822 174.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -68.31 -50.7 51.66 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.34 0.59 . . . . 3.64 110.273 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -108.14 119.31 39.1 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.405 -0.961 . . . . 0.6 108.405 173.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -76.14 103.03 5.98 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-O 122.024 0.916 . . . . 1.77 110.077 -173.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -173.77 -168.31 0.42 Allowed 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 113.481 -1.691 . . . . 0.5 106.954 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -109.38 89.11 2.9 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 109.183 -0.673 . . . . 1.77 109.183 172.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.603 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.8 p -87.4 137.33 21.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.602 0 CA-C-O 121.411 0.624 . . . . 1.05 109.713 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -120.75 99.38 6.5 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.171 -0.922 . . . . 2.71 108.623 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.6 m -75.52 128.17 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 109.61 -0.515 . . . . 0.71 109.61 -176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 106' ' ' ARG . 4.4 mmp_? -117.12 117.23 29.03 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.417 -0.356 . . . . 2.63 110.177 -176.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 3.9 t -85.36 99.54 11.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.739 0.78 . . . . 0.64 110.191 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 29.3 m -96.57 151.05 4.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.483 -0.781 . . . . 1.34 111.082 -177.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 6.0 p -133.59 3.55 3.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.374 0.607 . . . . 1.22 110.309 176.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.0 m -155.36 148.71 18.48 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.753 -0.658 . . . . 0.93 109.462 -176.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.774 ' HA ' HD13 ' A' ' 34' ' ' LEU . 23.0 Cg_exo -64.97 -25.3 59.53 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.018 2.478 . . . . 0.6 113.323 -175.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -78.28 -31.49 49.01 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.99 -0.284 . . . . 2.04 111.243 -179.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -60.69 -42.94 98.15 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.773 -0.455 . . . . 2.21 109.773 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.58 -51.67 66.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.426 -0.806 . . . . 0.48 111.134 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -62.16 -36.61 82.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.986 -0.552 . . . . 1.53 110.809 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -68.33 -41.52 80.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 4.21 111.194 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -67.65 -40.85 84.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.677 0.275 . . . . 0.99 110.762 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 85.6 mt -62.36 -39.8 85.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 0.57 109.961 174.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -58.95 -46.84 87.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.783 -0.644 . . . . 2.66 111.23 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -70.1 -27.5 64.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.238 0.542 . . . . 2.48 110.426 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 23' ' ' LEU . 11.2 t80 -75.86 -44.95 38.24 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.672 -0.695 . . . . 1.43 111.621 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.6 m -66.32 -26.53 67.34 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.25 -0.432 . . . . 1.31 111.787 -174.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -104.47 24.34 11.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.477 -0.329 . . . . 2.53 111.101 -176.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.68 -0.676 . . . . 2.76 110.278 -178.742 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.698 0.285 . . . . 2.17 110.292 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.5 m -113.27 134.33 54.65 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.596 -0.274 . . . . 0.82 110.292 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' HB2' HD22 ' A' ' 47' ' ' LEU . 86.4 mt -114.58 119.16 35.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.062 0.458 . . . . 0.39 110.616 -177.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.598 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 47.4 m-85 -104.31 152.27 22.44 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.075 -0.511 . . . . 1.3 110.163 -178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 3.6 p -142.09 122.81 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.661 0.743 . . . . 1.08 110.811 176.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.515 HD23 HD12 ' A' ' 58' ' ' LEU . 7.4 mp -111.39 158.93 18.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.159 -0.928 . . . . 1.18 108.762 178.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.577 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.9 tt -150.51 112.49 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 C-N-CA 120.85 -0.34 . . . . 0.55 111.194 -178.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD11 HD22 ' A' ' 58' ' ' LEU . 26.9 mt -92.99 79.38 4.61 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 108.416 -0.957 . . . . 1.24 108.416 173.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.0 m -150.28 138.86 20.64 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.058 -0.973 . . . . 1.27 109.721 175.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -119.17 86.11 2.49 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 118.453 -1.299 . . . . 2.75 109.743 165.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.609 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.3 t70 -120.19 141.38 49.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.602 -1.181 . . . . 1.57 109.311 168.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -60.8 -55.44 33.09 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 118.377 0.535 . . . . 2.93 111.673 -177.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 87.8 tttt -70.58 -46.81 62.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.178 -0.464 . . . . 3.44 111.417 -173.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 111' ' ' PRO . 18.4 tp -57.15 -41.99 80.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.9 -0.591 . . . . 1.46 111.872 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 25.9 mt -61.29 -33.35 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.875 0.369 . . . . 0.69 110.931 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 42.2 mt-10 -74.48 -47.79 31.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.364 -0.38 . . . . 2.15 110.067 174.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG3' ' HB3' ' A' ' 111' ' ' PRO . 32.9 mm-40 -55.95 -41.0 74.03 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.247 -0.433 . . . . 2.05 111.336 -178.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.52 -47.77 84.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.866 -0.606 . . . . 0.51 110.91 179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -69.88 -36.76 75.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.41 -0.359 . . . . 2.96 110.936 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.2 mttm -51.9 -40.46 60.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.926 0.393 . . . . 1.88 110.873 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.2 mmm -83.9 -45.98 12.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.908 -0.587 . . . . 1.68 111.383 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.96 -39.06 72.76 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.205 0.446 . . . . 0.49 112.205 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.52 -46.43 86.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.448 -0.945 . . . . 2.41 108.448 177.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -63.69 -35.09 79.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.095 -0.957 . . . . 3.63 110.788 177.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -79.89 -5.0 54.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.881 -0.6 . . . . 0.66 111.229 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.9 t30 62.61 45.06 6.34 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 115.282 -0.872 . . . . 2.18 110.365 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.503 HD22 ' HB2' ' A' ' 23' ' ' LEU . 19.1 mt -100.98 168.75 9.42 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.221 -0.899 . . . . 0.59 109.534 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.455 HD12 ' CE1' ' A' ' 24' ' ' PHE . 50.7 mt -100.82 104.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.872 -0.418 . . . . 0.53 109.872 175.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 41.1 tp -95.94 124.05 39.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.019 -0.537 . . . . 1.14 111.186 -176.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.49 109.9 27.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.477 -0.564 . . . . 0.94 109.477 173.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.4 m -89.66 101.1 13.79 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.06 -0.518 . . . . 1.17 110.948 -176.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 57' ' ' GLU . 7.6 m -122.78 141.52 42.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.954 -0.566 . . . . 1.38 110.255 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.607 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -120.53 96.17 0.6 Allowed Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 119.874 -1.155 . . . . 1.24 112.219 177.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.607 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 16.4 t70 155.51 151.48 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.734 1.214 . . . . 1.98 108.417 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -71.81 -28.36 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.951 0.405 . . . . 2.21 110.715 -177.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.625 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 29.3 mm-40 -86.51 -34.41 20.02 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.897 -0.409 . . . . 2.04 109.897 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 54' ' ' ASP . 22.1 mm-40 -64.13 -32.01 73.41 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.817 -0.438 . . . . 2.16 109.817 173.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.515 HD12 HD23 ' A' ' 26' ' ' LEU . 53.3 tp -55.58 -45.46 77.35 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.339 -0.615 . . . . 0.83 109.339 172.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -64.39 -18.13 64.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.528 -0.76 . . . . 2.26 111.85 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 64.5 mmtt -90.2 -37.03 14.42 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.781 -0.645 . . . . 2.35 110.439 -178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.81 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.098 -0.705 . . . . 0.47 109.098 172.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.671 HG23 ' HB2' ' A' ' 99' ' ' ALA . 40.5 mt -59.76 -41.87 86.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 114.924 -1.034 . . . . 0.83 110.554 173.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -60.13 -46.1 90.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.001 -0.545 . . . . 2.76 111.123 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' HG13 ' A' ' 68' ' ' ILE . 18.3 ptpt -73.71 -33.93 64.59 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.923 -0.311 . . . . 2.11 110.87 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.77 82.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.15 0.5 . . . . 0.38 110.429 177.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.625 ' HB2' ' HB1' ' A' ' 99' ' ' ALA . 1.4 t70 -59.47 -41.03 88.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.384 -0.826 . . . . 1.36 110.515 176.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -66.3 -49.79 65.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.057 -0.519 . . . . 1.68 111.656 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 64' ' ' LYS . 96.1 mt -60.51 -46.0 96.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.95 0.405 . . . . 0.51 110.923 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.598 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -63.15 -56.74 14.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.904 -0.589 . . . . 0.53 111.635 -177.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.603 ' HA ' ' CB ' ' A' ' 74' ' ' SER . 49.8 mtpt -76.73 -12.78 60.04 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 112.691 0.626 . . . . 1.5 112.691 -170.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -67.57 -37.02 82.03 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 109.102 -0.703 . . . . 2.71 109.102 173.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -126.57 -54.15 1.45 Allowed 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.685 1.365 . . . . 2.22 114.685 -173.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -114.67 14.82 17.64 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 114.746 1.387 . . . . 2.41 114.746 -160.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.603 ' CB ' ' HA ' ' A' ' 70' ' ' LYS . 2.8 p -65.32 14.45 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 114.496 1.295 . . . . 3.38 114.496 -174.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 p -56.01 -37.86 69.73 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.142 -0.688 . . . . 2.75 109.142 169.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -159.98 101.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.272 -0.876 . . . . 2.76 109.187 168.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -109.0 146.68 33.5 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.196 -0.457 . . . . 0.71 110.353 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.517 ' HE2' ' OE1' ' A' ' 102' ' ' GLU . 89.1 mttt -135.42 143.26 45.87 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.198 -0.297 . . . . 1.67 110.198 179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.485 ' HB ' HG22 ' A' ' 103' ' ' VAL . 62.4 mt -131.09 117.82 38.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.299 -0.41 . . . . 0.49 110.138 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.473 HD12 ' O ' ' A' ' 104' ' ' ARG . 33.0 tp -95.3 112.49 24.19 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.87 -0.418 . . . . 1.4 109.87 177.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.642 HG22 HD22 ' A' ' 83' ' ' LEU . 73.2 mt -102.08 117.6 47.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.596 -0.441 . . . . 0.38 109.835 176.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 82.3 mt -101.43 119.34 38.61 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.681 -0.489 . . . . 1.61 109.681 175.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.649 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -139.98 138.95 35.93 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.421 -0.354 . . . . 1.17 110.178 -177.695 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -87.06 98.04 11.06 Favored 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.393 -0.923 . . . . 2.04 109.485 177.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.7 ptmm? -176.21 162.01 1.86 Allowed Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 114.658 -1.156 . . . . 2.02 108.021 168.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -63.3 119.29 6.3 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 121.3 1.334 . . . . 0.85 109.811 167.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.5 m -99.2 141.74 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.268 0.556 . . . . 1.17 111.629 -173.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.9 m -95.03 127.48 42.67 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.424 -0.807 . . . . 1.44 109.694 177.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -58.33 -30.49 91.25 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.141 2.561 . . . . 1.14 112.834 -179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -71.07 -36.06 72.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.047 0.451 . . . . 2.43 110.288 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -67.25 -28.68 68.24 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.816 -0.629 . . . . 3.78 110.152 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.51 -38.65 91.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.994 -0.548 . . . . 1.46 110.44 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -72.48 -33.45 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.24 -0.652 . . . . 3.25 109.24 178.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.568 ' HE3' ' OH ' ' A' ' 98' ' ' TYR . 59.0 tttp -65.66 -33.67 76.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.19 -0.913 . . . . 2.44 109.932 176.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.572 HD12 HG11 ' A' ' 105' ' ' VAL . 78.7 mt -75.94 -42.91 47.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.003 -0.544 . . . . 1.14 111.633 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.56 HE21 ' C ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -77.06 -4.08 42.46 Favored 'General case' 0 CA--C 1.522 -0.132 0 C-N-CA 119.591 -0.843 . . . . 2.2 110.208 174.384 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -80.69 -28.74 36.64 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.186 -0.461 . . . . 2.87 110.159 169.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.568 ' OH ' ' HE3' ' A' ' 94' ' ' LYS . 19.5 m-85 -75.52 -51.08 13.78 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.178 0.513 . . . . 3.64 110.299 177.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.671 ' HB2' HG23 ' A' ' 62' ' ' ILE . . . -108.68 131.8 54.56 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 115.717 -0.674 . . . . 0.6 109.468 177.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.559 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 13.2 m-20 -83.06 99.67 10.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 122.388 1.089 . . . . 1.77 109.553 -177.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -173.93 173.61 3.19 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 112.662 -2.063 . . . . 0.5 106.378 176.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.517 ' OE1' ' HE2' ' A' ' 78' ' ' LYS . 6.5 mt-10 -87.58 91.1 8.62 Favored 'General case' 0 C--N 1.31 -1.134 0 C-N-CA 118.884 -1.127 . . . . 1.77 108.608 173.207 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.551 ' H ' ' HB3' ' A' ' 96' ' ' GLN . 40.7 t -81.07 114.93 22.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.507 -0.769 . . . . 1.05 109.895 -178.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.473 ' O ' HD12 ' A' ' 80' ' ' LEU . 33.0 mtp180 -108.77 110.83 22.31 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.531 -0.914 . . . . 2.71 108.531 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.572 HG11 HD12 ' A' ' 95' ' ' LEU . 5.1 m -106.01 126.38 61.5 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-O 121.41 0.624 . . . . 0.71 110.646 -172.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 49.4 mmt-85 -125.29 147.95 48.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.857 -0.61 . . . . 2.63 110.96 -174.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.649 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 14.5 t -86.42 136.48 33.1 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.746 -0.661 . . . . 0.64 110.168 177.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.7 p -127.05 109.26 20.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.234 0.54 . . . . 1.34 111.034 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 22.9 p -100.39 -17.99 16.96 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.046 -0.525 . . . . 1.22 111.397 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.7 m -138.34 151.61 69.76 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.218 -0.446 . . . . 0.93 110.767 -177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.689 ' HA ' HD13 ' A' ' 34' ' ' LEU . 72.7 Cg_exo -49.21 -44.92 31.84 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.612 2.208 . . . . 0.6 112.413 176.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.524 ' O ' ' HG2' ' A' ' 116' ' ' ARG . 14.5 t70 -59.37 -40.22 85.81 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.838 -0.619 . . . . 2.04 111.667 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -55.11 -44.61 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.347 0.404 . . . . 2.21 111.294 -177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.34 98.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.48 110.79 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 24.8 mtmm -62.02 -30.79 71.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.531 . . . . 1.53 110.734 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' A' ' 112' ' ' ASP . 23.4 mmt180 -68.79 -54.57 15.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 4.21 110.656 179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.6 m95 -63.44 -37.08 85.89 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.174 -0.467 . . . . 0.99 111.394 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 80.6 mt -67.42 -41.86 86.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.57 110.489 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 119' ' ' LYS . 0.2 OUTLIER -60.73 -46.73 89.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 2.66 110.02 178.162 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -61.24 -45.05 96.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.666 -0.697 . . . . 2.48 110.588 177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.402 ' CE2' ' HB3' ' A' ' 23' ' ' LEU . 56.7 t80 -61.75 -37.76 85.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.627 -0.715 . . . . 1.43 111.432 -176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.6 t -69.55 -20.84 63.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.238 -0.437 . . . . 1.31 110.966 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 119' ' ' LYS . 57.1 mm-40 -97.44 -5.94 35.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.316 . . . . 2.53 110.714 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.64 -0.695 . . . . 2.76 110.176 -176.685 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.432 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 120.527 0.204 . . . . 2.17 110.591 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.4 m -125.46 146.95 49.4 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.144 -0.687 . . . . 0.82 109.144 172.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' CB ' HD22 ' A' ' 47' ' ' LEU . 84.5 mt -110.08 114.93 28.85 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 121.234 0.54 . . . . 0.39 111.075 -176.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.481 ' CE1' HD12 ' A' ' 48' ' ' ILE . 52.5 m-85 -111.17 157.94 19.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.65 -0.705 . . . . 1.3 109.712 179.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' A' ' 80' ' ' LEU . 2.6 p -148.17 120.12 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.506 0.669 . . . . 1.08 111.371 176.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' CD1' ' HB ' ' A' ' 50' ' ' ILE . 2.6 mm? -103.14 163.53 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.242 -0.89 . . . . 1.18 108.917 176.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.549 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 7.7 tt -149.9 126.02 2.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 121.153 -0.219 . . . . 0.55 111.576 -178.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD11 HD13 ' A' ' 58' ' ' LEU . 6.7 mp -112.89 80.46 1.35 Allowed 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 121.319 0.581 . . . . 1.24 109.499 172.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.2 t -150.53 115.84 5.41 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.268 -1.012 . . . . 1.27 108.268 171.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -87.52 86.75 7.25 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 117.588 -1.645 . . . . 2.75 110.08 177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.645 ' O ' HD13 ' A' ' 35' ' ' ILE . 22.8 t70 -120.75 163.84 17.5 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 113.985 -1.461 . . . . 1.57 108.206 166.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 43.2 mttm -91.29 -40.68 11.36 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 119.935 -0.706 . . . . 2.93 111.453 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.45 -37.72 21.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.515 -0.311 . . . . 3.44 111.238 -174.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.04 -37.18 73.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.97 0.414 . . . . 1.46 110.039 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.645 HD13 ' O ' ' A' ' 31' ' ' ASP . 1.7 mp -64.98 -43.71 96.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.834 -0.621 . . . . 0.69 110.618 177.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 54.6 mt-10 -65.09 -49.02 71.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 2.15 110.573 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -54.98 -41.97 71.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.287 -0.415 . . . . 2.05 111.142 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.08 -48.68 72.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.0 -0.546 . . . . 0.51 111.028 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG3' ' HG3' ' A' ' 43' ' ' GLU . 58.9 ttt180 -72.46 -29.85 64.04 Favored 'General case' 0 C--O 1.22 -0.468 0 N-CA-C 111.918 0.34 . . . . 2.96 111.918 -176.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 67.5 mttm -64.31 -32.7 74.4 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.918 -0.489 . . . . 1.88 110.658 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.2 mmt -81.63 -46.57 14.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.091 -0.504 . . . . 1.68 110.625 174.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -64.1 -39.45 94.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.223 -0.444 . . . . 0.49 112.084 -178.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.407 ' HG3' ' HG3' ' A' ' 39' ' ' ARG . 10.1 mt-10 -60.86 -43.18 98.71 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.34 0.59 . . . . 2.41 109.794 176.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -67.29 -35.3 79.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.185 -0.916 . . . . 3.63 110.226 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB3' ' HG ' ' A' ' 47' ' ' LEU . . . -82.21 0.75 39.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.986 -0.552 . . . . 0.66 111.721 -178.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.4 t30 64.81 36.41 7.95 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.583 0.706 . . . . 2.18 110.743 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.452 HD22 ' CB ' ' A' ' 23' ' ' LEU . 12.6 mt -99.87 168.61 9.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.791 -0.64 . . . . 0.59 109.964 178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.481 HD12 ' CE1' ' A' ' 24' ' ' PHE . 44.3 mt -106.36 101.57 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.142 -0.481 . . . . 0.53 109.913 176.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.512 ' HA ' HG13 ' A' ' 25' ' ' VAL . 3.5 tm? -90.54 118.3 29.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.849 -0.614 . . . . 1.14 110.241 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.57 ' HB ' ' CD1' ' A' ' 26' ' ' LEU . 63.5 mt -121.39 120.18 61.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.164 -0.471 . . . . 0.94 110.343 178.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.2 p -82.53 130.75 35.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.088 -0.506 . . . . 1.17 110.108 178.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.9 p -141.72 157.08 20.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.222 0.534 . . . . 1.38 111.891 -173.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.1 -164.38 37.24 Favored Glycine 0 N--CA 1.445 -0.714 0 CA-C-N 115.183 -0.917 . . . . 1.24 112.883 176.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -44.16 166.69 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.516 1.302 . . . . 1.98 114.516 -176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.446 ' O ' ' HB3' ' A' ' 58' ' ' LEU . 30.5 mt-10 -39.77 -45.35 1.73 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.157 1.169 . . . . 2.21 114.157 -173.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.524 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 8.1 mm-40 -64.64 -40.09 94.84 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.125 0.488 . . . . 2.04 111.108 -178.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -69.29 -35.22 75.8 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.482 -0.562 . . . . 2.16 109.482 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.545 HD13 HD11 ' A' ' 28' ' ' LEU . 51.4 tp -57.97 -37.17 73.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.624 -0.716 . . . . 0.83 110.518 174.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 52.8 mttp -53.01 -36.69 60.77 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.602 0.715 . . . . 2.26 110.925 176.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.532 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 45.7 mttp -82.95 -35.3 26.12 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.961 -1.018 . . . . 2.35 111.058 -176.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.64 -38.09 80.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.165 0.507 . . . . 0.47 110.207 176.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CG2' ' HB2' ' A' ' 99' ' ' ALA . 75.3 mt -63.41 -42.54 96.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.488 -0.778 . . . . 0.83 110.207 175.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -69.78 -29.39 66.7 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.291 -0.413 . . . . 2.76 110.303 177.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 67.3 mttm -62.54 -51.78 66.02 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.852 -0.425 . . . . 2.11 109.852 172.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.25 -47.3 86.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.808 -0.633 . . . . 0.38 110.891 178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.641 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 6.4 t70 -59.1 -41.65 88.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.787 -0.642 . . . . 1.36 110.963 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -64.89 -45.25 86.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.525 -0.307 . . . . 1.68 111.181 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 64' ' ' LYS . 81.5 mt -62.34 -34.08 62.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.22 0.533 . . . . 0.51 110.082 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -67.1 -48.28 68.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.731 -0.668 . . . . 0.53 110.642 176.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.641 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 73.1 mmtt -52.4 -34.87 50.16 Favored 'General case' 0 CA--C 1.51 -0.589 0 N-CA-C 112.151 0.426 . . . . 1.5 112.151 -177.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -46.53 -51.38 15.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 123.822 0.701 . . . . 2.71 109.84 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -126.66 -53.02 1.46 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 114.194 1.183 . . . . 2.22 114.194 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -114.99 12.63 16.8 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 115.669 1.729 . . . . 2.41 115.669 -158.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.467 ' CB ' ' HD3' ' A' ' 70' ' ' LYS . 23.1 t -68.38 1.52 2.94 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 118.871 0.759 . . . . 3.38 112.494 -175.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.5 p -57.02 -40.09 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.42 -0.585 . . . . 2.75 109.42 171.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 21' ' ' MET . 6.4 tp10 -164.99 132.54 3.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.114 -0.948 . . . . 2.76 108.633 171.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -152.39 165.37 35.21 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.048 -0.353 . . . . 0.71 110.048 -177.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -126.86 136.79 52.82 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.949 0.404 . . . . 1.67 109.991 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.476 ' O ' ' HA ' ' A' ' 103' ' ' VAL . 54.1 mt -127.63 141.29 46.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.078 -0.51 . . . . 0.49 110.046 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 1.2 tt -113.88 132.75 55.8 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.59 -0.892 . . . . 1.4 108.59 175.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.5 mt -117.53 106.31 19.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 109.959 -0.386 . . . . 0.38 109.959 175.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 96.0 mt -92.06 98.48 11.58 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.102 0.477 . . . . 1.61 109.963 178.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.603 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -119.43 179.15 4.29 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 109.581 -0.525 . . . . 1.17 109.581 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -122.32 99.86 6.64 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.599 -0.84 . . . . 2.04 110.033 170.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' HG2' HD13 ' A' ' 83' ' ' LEU . 18.7 ptmt -177.72 145.41 0.56 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 114.817 -1.083 . . . . 2.02 108.458 171.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -65.58 119.12 6.09 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 121.738 1.625 . . . . 0.85 111.336 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.7 m -123.02 123.04 67.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.432 0.634 . . . . 1.17 111.751 -177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.4 m -88.6 160.47 44.5 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.576 -0.738 . . . . 1.44 110.394 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_exo -42.35 -44.75 7.97 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 123.813 3.008 . . . . 1.14 114.632 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.22 -38.43 79.93 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.737 0.303 . . . . 2.43 111.564 -177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -63.92 -33.71 76.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.345 -0.389 . . . . 3.78 110.753 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -61.2 -35.44 77.19 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.25 -0.432 . . . . 1.46 110.832 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -69.27 -25.26 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.092 -0.503 . . . . 3.25 110.269 -178.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -65.38 -50.36 65.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.316 -0.624 . . . . 2.44 109.316 179.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -73.86 -34.38 64.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.625 -0.716 . . . . 1.14 110.384 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -70.31 -22.67 62.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.811 -0.632 . . . . 2.2 110.658 -178.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 53.8 tttp -80.4 -26.76 38.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.146 -0.479 . . . . 2.87 111.641 178.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -69.55 -31.4 69.58 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.049 0.388 . . . . 3.64 112.049 -177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 66' ' ' ASP . . . -120.19 154.13 35.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.983 -0.377 . . . . 0.6 109.983 -179.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -91.21 96.98 10.85 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 118.67 -1.212 . . . . 1.77 108.353 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.17 173.43 2.19 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.833 -1.53 . . . . 0.5 108.377 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -98.74 91.53 5.14 Favored 'General case' 0 C--N 1.311 -1.072 0 N-CA-C 108.962 -0.755 . . . . 1.77 108.962 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.476 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 5.5 p -85.51 135.6 24.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.273 0.558 . . . . 1.05 110.233 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -113.58 99.22 7.57 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.611 -0.885 . . . . 2.71 108.611 178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.676 ' O ' ' HD2' ' A' ' 106' ' ' ARG . 33.5 m -76.62 129.52 37.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.368 -0.378 . . . . 0.71 110.544 -174.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.676 ' HD2' ' O ' ' A' ' 105' ' ' VAL . 1.9 mpt_? -131.35 143.19 50.32 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.511 -0.313 . . . . 2.63 110.796 -177.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 9.8 t -109.95 127.45 54.78 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.251 0.548 . . . . 0.64 110.188 177.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.1 m -127.98 147.97 32.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.915 -0.584 . . . . 1.34 110.905 -177.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.9 p -118.36 -31.5 4.93 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.946 -0.57 . . . . 1.22 110.434 177.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.449 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 32.6 m -118.68 141.7 30.39 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.939 -0.573 . . . . 0.93 110.335 -179.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 110' ' ' SER . 37.8 Cg_exo -58.33 -18.9 40.4 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.487 2.791 . . . . 0.6 114.311 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -77.02 -29.77 55.46 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.098 -0.376 . . . . 2.04 110.38 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -65.28 -41.35 94.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.155 0.503 . . . . 2.21 109.803 177.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.415 ' O ' HG13 ' A' ' 118' ' ' ILE . . . -56.44 -46.79 80.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.356 -0.838 . . . . 0.48 110.527 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -61.14 -35.82 78.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.724 -0.671 . . . . 1.53 110.999 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -63.36 -52.36 62.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 4.21 110.925 177.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -64.06 -40.23 95.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.99 111.449 -176.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 114' ' ' ALA . 87.1 mt -60.34 -42.9 92.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.636 0.255 . . . . 0.57 111.225 -179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.4 -38.74 90.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 2.66 110.846 177.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.569 ' O ' ' HB3' ' A' ' 124' ' ' GLU . 69.8 mm-40 -72.6 -22.75 60.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 2.48 111.291 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -89.79 -31.26 17.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.973 -0.558 . . . . 1.43 111.352 -176.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.5 p -76.93 -59.16 2.9 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.319 -0.4 . . . . 1.31 111.019 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -108.85 65.26 0.62 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.348 0.594 . . . . 2.53 111.108 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.569 ' HB3' ' O ' ' A' ' 120' ' ' GLU . 7.2 pt-20 . . . . . 0 C--O 1.252 1.193 0 CA-C-N 115.868 -0.605 . . . . 2.76 111.014 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.862 0.363 . . . . 2.17 110.376 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 86.6 m -92.3 135.95 33.6 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.987 -0.745 . . . . 0.82 108.987 173.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 92.5 mt -103.34 119.4 38.8 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.283 0.563 . . . . 0.39 111.183 -174.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -108.96 141.32 41.23 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.366 -0.833 . . . . 1.3 109.898 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 4.2 p -128.53 125.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.596 0.712 . . . . 1.08 110.512 178.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.7 mt -111.16 157.22 20.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.158 -0.928 . . . . 1.18 108.961 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.59 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.6 tt -150.8 129.37 2.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 112.565 0.58 . . . . 0.55 112.565 -173.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.449 HD11 HD13 ' A' ' 58' ' ' LEU . 5.1 mp -119.71 79.05 1.38 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.505 -0.924 . . . . 1.24 108.505 166.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -149.47 89.75 1.66 Allowed 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.812 -0.631 . . . . 1.27 109.433 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -85.05 86.56 7.37 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 118.393 -1.323 . . . . 2.75 110.594 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' HB2' ' HB3' ' A' ' 34' ' ' LEU . 8.6 m-20 -119.8 146.08 46.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.59 -1.186 . . . . 1.57 108.291 164.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 30.0 mmmt -71.02 -36.27 72.34 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.455 -0.498 . . . . 2.93 110.524 -178.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -76.18 -47.71 23.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.146 -0.479 . . . . 3.44 110.972 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.57 ' CD2' ' HA ' ' A' ' 111' ' ' PRO . 1.9 tm? -59.33 -47.78 84.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.836 -0.62 . . . . 1.46 110.945 -175.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.4 mt -59.29 -39.53 79.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.597 -0.274 . . . . 0.69 111.224 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 65.7 mm-40 -60.85 -64.4 0.97 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.616 -0.265 . . . . 2.15 110.755 177.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -60.67 -34.23 74.01 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.448 -0.342 . . . . 2.05 111.503 -175.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.4 53.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.631 -0.259 . . . . 0.51 110.898 178.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -68.8 -36.84 78.75 Favored 'General case' 0 C--O 1.212 -0.918 0 C-N-CA 120.514 -0.475 . . . . 2.96 110.824 -178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -62.61 -35.76 80.6 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.874 -0.33 . . . . 1.88 110.883 -178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.9 mmt -76.54 -46.44 26.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.597 -0.274 . . . . 1.68 110.913 175.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.97 -34.56 78.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.711 0.291 . . . . 0.49 111.333 -179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -62.54 -44.68 95.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.771 0.795 . . . . 2.41 108.959 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -65.92 -38.05 87.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.438 -1.256 . . . . 3.63 110.068 177.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.43 3.04 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.678 -0.692 . . . . 0.66 111.471 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.4 m120 58.33 36.86 25.85 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.263 -0.88 . . . . 2.18 111.419 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.422 HD12 HG23 ' A' ' 118' ' ' ILE . 56.6 mt -97.25 140.91 31.02 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.853 -0.612 . . . . 0.59 109.351 177.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.9 mt -82.39 101.45 7.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 109.789 -0.448 . . . . 0.53 109.789 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 41.0 tp -88.3 127.21 35.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.992 -0.549 . . . . 1.14 111.093 -178.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 57.9 mt -116.19 99.57 8.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.197 -0.668 . . . . 0.94 109.197 173.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 m -77.33 124.66 28.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.886 -0.597 . . . . 1.17 110.355 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 61' ' ' ALA . 12.9 m -133.85 -175.76 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.18 -0.464 . . . . 1.38 110.971 -177.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.49 ' O ' ' HB3' ' A' ' 54' ' ' ASP . . . -152.85 99.58 0.19 Allowed Glycine 0 N--CA 1.444 -0.801 0 C-N-CA 120.945 -0.645 . . . . 1.24 111.999 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.49 ' HB3' ' O ' ' A' ' 53' ' ' GLY . 21.6 t70 102.75 155.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.273 1.429 . . . . 1.98 111.236 174.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -52.18 -47.24 65.64 Favored 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.171 0.434 . . . . 2.21 112.171 -172.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' O ' ' HE3' ' A' ' 60' ' ' LYS . 15.0 mm-40 -60.73 -34.9 75.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.93 0.395 . . . . 2.04 110.617 -178.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . 0.5 OUTLIER -76.25 -27.37 56.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.677 -0.692 . . . . 2.16 110.916 177.323 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.655 ' O ' HG13 ' A' ' 62' ' ' ILE . 65.0 tp -74.59 -36.63 63.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.469 -0.332 . . . . 0.83 110.56 177.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -57.89 -55.42 35.08 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.926 0.393 . . . . 2.26 112.0 -176.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HE3' ' O ' ' A' ' 56' ' ' GLU . 14.4 ptpt -55.63 -30.66 61.32 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.49 -0.777 . . . . 2.35 111.685 174.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.509 ' HB2' HG11 ' A' ' 52' ' ' VAL . . . -74.55 -45.89 42.58 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.398 0.142 . . . . 0.47 111.081 179.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.655 HG13 ' O ' ' A' ' 58' ' ' LEU . 22.1 mt -60.63 -41.13 86.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.229 0 CA-C-O 121.419 0.628 . . . . 0.83 109.354 176.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -60.44 -42.08 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.151 -0.931 . . . . 2.76 110.316 177.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -69.44 -37.22 77.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 2.11 111.112 178.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.05 -50.87 72.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.946 0.403 . . . . 0.38 110.397 177.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -66.45 -32.54 73.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.992 -0.549 . . . . 1.36 110.665 176.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 14.4 t70 -60.33 -51.22 70.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.635 -0.711 . . . . 1.68 110.685 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 68.6 mt -68.36 -35.99 73.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.031 -0.531 . . . . 0.51 110.244 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 74' ' ' SER . . . -60.17 -61.19 2.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.669 -0.696 . . . . 0.53 111.142 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' HA ' ' HA ' ' A' ' 75' ' ' SER . 50.0 mttp -72.89 -12.58 61.02 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.347 0.499 . . . . 1.5 112.347 -177.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 67' ' ' ASP . 2.6 tppp? -51.77 -45.9 63.94 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.464 0.477 . . . . 2.71 110.439 -176.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.446 ' HG3' ' H ' ' A' ' 73' ' ' ASN . 19.2 pt20 -129.85 -62.22 0.97 Allowed 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 114.612 1.338 . . . . 2.22 114.612 -177.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.446 ' H ' ' HG3' ' A' ' 72' ' ' GLN . 63.6 t30 -120.59 -41.77 2.57 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.204 0.816 . . . . 2.41 113.204 -170.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.491 ' HB3' ' HA ' ' A' ' 69' ' ' ALA . 19.8 t -79.67 24.32 0.38 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.045 -0.98 . . . . 3.38 113.187 -164.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.468 ' HA ' ' HA ' ' A' ' 70' ' ' LYS . 38.2 m -44.85 -29.64 0.84 Allowed 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.252 0.834 . . . . 2.75 113.252 -172.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -112.83 99.05 7.6 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.558 -0.904 . . . . 2.76 108.558 168.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -113.41 165.75 12.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.372 0.606 . . . . 0.71 112.075 -172.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -113.55 133.13 55.43 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.212 -1.033 . . . . 1.67 108.212 174.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.49 ' HB ' HG23 ' A' ' 103' ' ' VAL . 63.9 mt -128.7 140.58 48.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.805 0.336 . . . . 0.49 110.591 -174.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.39 134.45 52.3 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.063 -0.717 . . . . 1.4 109.063 177.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.439 HD13 HD21 ' A' ' 58' ' ' LEU . 96.4 mt -118.45 101.9 12.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.796 0.331 . . . . 0.38 110.16 175.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.59 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 99.3 mt -93.79 101.21 13.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.007 -0.542 . . . . 1.61 110.465 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.5 OUTLIER -126.79 157.66 38.63 Favored 'General case' 0 C--N 1.315 -0.927 0 C-N-CA 121.128 -0.229 . . . . 1.17 111.002 -179.414 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 85' ' ' LYS . 2.0 tm-20 -98.07 101.5 13.0 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.062 -1.088 . . . . 2.04 108.062 170.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 63.8 mttm -171.42 151.66 3.07 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 114.775 -1.102 . . . . 2.02 108.302 -177.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.2 117.82 4.51 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.677 1.585 . . . . 0.85 109.906 167.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.6 m -124.33 139.04 51.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.137 0.494 . . . . 1.17 111.905 -174.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.9 p -101.21 160.0 27.86 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.693 -0.685 . . . . 1.44 110.322 176.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.3 -31.98 86.53 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.325 2.016 . . . . 1.14 111.572 173.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -60.92 -47.96 84.02 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.611 -0.722 . . . . 2.43 110.736 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -65.36 -36.49 84.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 3.78 110.324 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -60.09 -44.4 94.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.209 -0.451 . . . . 1.46 110.204 176.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -63.15 -33.46 75.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.503 . . . . 3.25 110.47 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.57 -40.78 97.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.741 0.305 . . . . 2.44 110.707 177.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.94 -33.78 39.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.296 -0.411 . . . . 1.14 110.649 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.93 -34.73 78.42 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.445 -0.576 . . . . 2.2 109.445 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? -80.93 -20.83 41.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.229 -0.441 . . . . 2.87 111.349 174.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -66.29 -50.62 63.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 3.64 110.179 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.412 ' CB ' HG22 ' A' ' 62' ' ' ILE . . . -112.87 132.32 55.35 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.577 -0.527 . . . . 0.6 109.577 176.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -73.82 100.34 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.708 0.766 . . . . 1.77 109.697 -178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -175.97 -175.09 0.7 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.154 -1.384 . . . . 0.5 107.839 -178.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -111.12 89.0 2.92 Favored 'General case' 0 C--N 1.313 -1.012 0 N-CA-C 109.45 -0.574 . . . . 1.77 109.45 173.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.49 HG23 ' HB ' ' A' ' 79' ' ' ILE . 3.3 p -90.47 141.7 13.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.393 0.616 . . . . 1.05 110.016 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -124.47 107.46 11.11 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 108.445 -0.946 . . . . 2.71 108.445 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.8 m -82.22 139.77 17.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 C-N-CA 120.43 -0.508 . . . . 0.71 109.987 -174.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.439 ' HB2' HD23 ' A' ' 82' ' ' LEU . 34.7 mmt180 -136.73 140.19 42.43 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.884 0.373 . . . . 2.63 110.688 -179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.52 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 8.8 t -95.11 131.86 40.66 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.015 -0.539 . . . . 0.64 109.869 178.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.5 HG21 ' HB2' ' A' ' 114' ' ' ALA . 3.9 p -129.21 125.16 61.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.129 -0.487 . . . . 1.34 111.154 -176.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 26.3 p -119.3 -2.03 10.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.22 -0.446 . . . . 1.22 111.129 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.0 m -154.63 147.34 17.81 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-N 116.784 -0.189 . . . . 0.93 111.247 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.57 ' HA ' ' CD2' ' A' ' 34' ' ' LEU . 32.5 Cg_exo -38.52 -53.99 1.65 Allowed 'Trans proline' 0 C--O 1.236 0.405 0 C-N-CA 123.972 3.115 . . . . 0.6 114.602 176.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 116' ' ' ARG . 41.1 m-20 -57.55 -38.33 74.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.365 -0.379 . . . . 2.04 111.991 -173.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -60.09 -47.71 84.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.866 0.365 . . . . 2.21 110.372 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.5 ' HB2' HG21 ' A' ' 108' ' ' VAL . . . -60.86 -44.21 97.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.898 -0.592 . . . . 0.48 110.523 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -62.55 -29.51 70.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.98 -0.555 . . . . 1.53 111.152 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 112' ' ' ASP . 63.7 mtt180 -67.09 -53.14 33.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.485 -0.325 . . . . 4.21 110.41 175.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 19.7 m95 -65.58 -44.67 85.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.945 -0.571 . . . . 0.99 111.157 -176.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 47' ' ' LEU . 82.7 mt -57.36 -41.9 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.57 110.997 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.506 ' HA ' ' HE3' ' A' ' 119' ' ' LYS . 0.1 OUTLIER -64.54 -47.09 80.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.786 -0.643 . . . . 2.66 110.526 -178.827 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.48 -50.12 64.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 2.48 111.074 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -58.31 -37.06 74.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.965 -0.561 . . . . 1.43 111.372 -176.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 31.0 t -70.39 -55.58 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.245 -0.434 . . . . 1.31 110.65 179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -135.59 90.66 2.63 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.383 0.611 . . . . 2.53 111.386 -175.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.275 -0.869 . . . . 2.76 109.778 176.786 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.443 ' HA ' ' ND2' ' A' ' 73' ' ' ASN . 1.3 pmm? . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.089 -0.338 . . . . 2.17 110.089 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.1 m -79.73 132.34 36.16 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.705 -0.398 . . . . 0.82 110.378 -179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.462 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . 64.6 mt -111.62 120.05 40.76 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.851 0.358 . . . . 0.39 110.813 -177.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 69' ' ' ALA . 72.9 m-85 -113.43 155.79 24.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 1.3 110.586 -179.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.489 ' HB ' HD22 ' A' ' 49' ' ' LEU . 22.8 t -135.42 111.73 13.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.137 -0.483 . . . . 1.08 110.522 176.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -91.06 154.17 19.59 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.801 -1.185 . . . . 1.18 107.801 167.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.565 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 8.5 tt -151.17 125.12 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 C-N-CA 120.878 -0.329 . . . . 0.55 111.084 -177.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -112.81 78.83 1.16 Allowed 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.775 -0.824 . . . . 1.24 108.775 168.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.0 t -150.95 100.31 2.79 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.473 -0.785 . . . . 1.27 109.401 173.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -82.24 85.72 6.78 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 117.863 -1.535 . . . . 2.75 109.506 178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.532 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 10.6 t70 -120.75 115.67 23.76 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.727 -1.124 . . . . 1.57 107.993 167.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' A' ' 36' ' ' GLU . 34.5 mmtp -61.6 -37.35 83.59 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.819 0.674 . . . . 2.93 112.819 -170.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.18 -26.65 25.02 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.589 -0.444 . . . . 3.44 110.772 -179.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.532 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -63.64 -55.52 22.94 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.316 -0.624 . . . . 1.46 109.316 174.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.8 mt -52.48 -31.63 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-N 115.401 -0.818 . . . . 0.69 110.813 -179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 11.6 mm-40 -65.08 -58.38 6.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.719 -0.673 . . . . 2.15 110.559 175.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -62.68 -41.71 99.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.554 . . . . 2.05 111.215 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.71 -43.62 96.04 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.004 -0.544 . . . . 0.51 111.14 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.579 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 45.4 ttt180 -70.4 -47.94 58.5 Favored 'General case' 0 C--O 1.21 -1.007 0 C-N-CA 120.102 -0.639 . . . . 2.96 110.392 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.52 -34.86 69.55 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.876 0.37 . . . . 1.88 110.739 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.405 ' SD ' ' HB ' ' A' ' 118' ' ' ILE . 33.1 ttm -62.64 -52.58 62.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.863 -0.608 . . . . 1.68 110.231 173.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.581 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -65.96 -29.29 69.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 0.49 111.503 179.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 39.4 mm-40 -59.51 -52.2 66.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.542 0.687 . . . . 2.41 109.679 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -74.36 -28.07 60.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.005 -0.998 . . . . 3.63 111.331 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -84.36 -0.64 53.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.756 0.312 . . . . 0.66 111.342 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.4 m120 60.19 38.55 20.06 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.838 -0.619 . . . . 2.18 111.485 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.581 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 15.3 mt -103.01 161.31 13.86 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.098 -0.705 . . . . 0.59 109.098 177.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.423 HD12 ' CE1' ' A' ' 24' ' ' PHE . 50.4 mt -101.33 97.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-O 121.235 0.54 . . . . 0.53 110.939 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.489 HD22 ' HB ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -81.68 120.63 25.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.51 -0.768 . . . . 1.14 108.96 178.028 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.4 mt -117.16 108.16 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.868 -0.419 . . . . 0.94 109.868 176.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 p -72.39 126.5 29.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.127 -0.488 . . . . 1.17 110.943 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.446 HG13 ' HG2' ' A' ' 57' ' ' GLU . 40.4 t -134.5 155.43 38.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.739 0.304 . . . . 1.38 110.984 -174.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.604 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -155.91 94.94 0.14 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.561 -0.828 . . . . 1.24 111.897 168.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.604 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 14.2 t70 144.53 140.89 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.756 1.622 . . . . 1.98 107.387 177.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 58' ' ' LEU . 45.2 mt-10 -69.22 -25.29 64.24 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 120.843 0.354 . . . . 2.21 111.053 -177.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 43.9 mt-10 -86.74 -25.48 24.69 Favored 'General case' 0 N--CA 1.446 -0.648 0 N-CA-C 109.882 -0.414 . . . . 2.04 109.882 179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.446 ' HG2' HG13 ' A' ' 52' ' ' VAL . 34.3 tt0 -70.71 -28.33 64.66 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.18 -0.674 . . . . 2.16 109.18 171.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 62' ' ' ILE . 14.4 mt -60.14 -44.15 95.16 Favored 'General case' 0 C--O 1.222 -0.366 0 N-CA-C 109.804 -0.443 . . . . 0.83 109.804 169.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 56' ' ' GLU . 65.1 mttm -54.73 -27.73 43.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.332 0.586 . . . . 2.26 110.994 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -90.1 -45.11 9.36 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.351 -0.84 . . . . 2.35 110.645 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.1 -39.16 75.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.47 111.386 -177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 58' ' ' LEU . 65.1 mt -69.3 -38.87 78.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.983 0.42 . . . . 0.83 109.971 178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -65.65 -35.71 81.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.101 0.476 . . . . 2.76 109.862 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -68.56 -36.47 78.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.619 -0.718 . . . . 2.11 110.7 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.09 82.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.027 0.441 . . . . 0.38 109.893 174.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -57.04 -41.44 78.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.577 -0.738 . . . . 1.36 110.381 174.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.43 -50.16 72.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.586 -0.734 . . . . 1.68 111.488 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 83.4 mt -64.38 -38.4 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.141 0.496 . . . . 0.51 110.808 -179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.534 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -69.25 -49.15 58.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.841 -0.618 . . . . 0.53 111.525 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.588 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 0.8 OUTLIER -73.8 -18.4 60.96 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.266 0.839 . . . . 1.5 113.266 -170.731 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -65.7 -33.06 75.01 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.182 -0.607 . . . . 2.71 109.506 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -125.6 -53.51 1.57 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.626 1.343 . . . . 2.22 114.626 -171.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.443 ' ND2' ' HA ' ' A' ' 21' ' ' MET . 1.8 t30 -115.66 16.18 16.47 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 114.32 1.23 . . . . 2.41 114.32 -161.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.588 ' HB3' ' HA ' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -62.46 14.3 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 115.189 1.552 . . . . 3.38 115.189 -172.281 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.4 t -62.06 -30.8 71.24 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.612 -0.885 . . . . 2.75 108.612 168.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -170.15 137.23 1.51 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.266 -0.879 . . . . 2.76 109.547 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -139.65 137.63 35.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.724 0.297 . . . . 0.71 110.745 178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 65.4 mttm -123.56 141.84 51.62 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.199 -0.667 . . . . 1.67 109.199 178.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.459 ' HB ' HG23 ' A' ' 103' ' ' VAL . 61.8 mt -138.72 139.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.57 0.224 . . . . 0.49 111.266 -174.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 80' ' ' LEU . 14.8 mt -101.07 143.09 31.62 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 110.09 -0.337 . . . . 1.4 110.09 169.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 92.0 mt -120.19 96.04 4.01 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.932 0 N-CA-C 108.864 -0.791 . . . . 0.38 108.864 165.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.565 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 25.1 mt -77.76 141.61 39.16 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.114 -0.698 . . . . 1.61 109.114 174.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.412 HD22 ' HE3' ' A' ' 85' ' ' LYS . 1.1 pp -170.29 164.5 8.93 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.902 -0.407 . . . . 1.17 109.902 177.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 108' ' ' VAL . 40.3 mt-10 -117.43 99.19 6.83 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.006 -0.677 . . . . 2.04 109.935 174.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.412 ' HE3' HD22 ' A' ' 83' ' ' LEU . 16.6 pttp -177.13 159.08 1.42 Allowed Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 114.992 -1.003 . . . . 2.02 108.524 170.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.16 118.89 5.81 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.247 1.965 . . . . 0.85 112.019 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.7 m -116.32 127.87 73.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.253 0.549 . . . . 1.17 110.895 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.4 m -91.82 158.43 40.0 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.988 -0.551 . . . . 1.44 110.021 176.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.71 -44.68 25.83 Favored 'Trans proline' 0 CA--C 1.533 0.455 0 C-N-CA 122.729 2.286 . . . . 1.14 113.38 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 94' ' ' LYS . 44.2 mt-10 -72.99 -12.18 60.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.513 -0.312 . . . . 2.43 111.833 -175.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -69.21 -39.29 78.69 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.341 -0.614 . . . . 3.78 109.341 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.454 ' HB2' HG22 ' A' ' 105' ' ' VAL . 39.5 tt0 -69.5 -38.02 77.45 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.495 -0.775 . . . . 1.46 110.313 177.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -60.22 -43.33 96.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.94 -0.573 . . . . 3.25 110.686 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 64.6 mttp -63.87 -38.37 90.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.4 -0.364 . . . . 2.44 111.11 -179.075 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.9 mt -77.52 -34.21 54.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.888 0.375 . . . . 1.14 110.83 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.97 -35.71 80.57 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.047 -0.723 . . . . 2.2 109.047 176.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -75.49 -28.08 59.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.117 -0.492 . . . . 2.87 111.406 175.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -63.62 -42.76 98.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 3.64 110.872 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -124.73 128.54 48.95 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.153 -0.476 . . . . 0.6 110.097 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.24 101.21 1.15 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.56 0.695 . . . . 1.77 109.749 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.79 -179.63 0.98 Allowed 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 114.322 -1.308 . . . . 0.5 107.696 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -104.4 89.29 3.19 Favored 'General case' 0 C--N 1.307 -1.263 0 C-N-CA 120.088 -0.645 . . . . 1.77 109.275 170.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG23 ' HB ' ' A' ' 79' ' ' ILE . 3.0 p -87.92 135.77 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-O 121.444 0.64 . . . . 1.05 109.705 178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.425 ' HA ' ' OE2' ' A' ' 92' ' ' GLU . 39.8 ttm180 -119.71 99.81 6.88 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 108.223 -1.029 . . . . 2.71 108.223 177.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.454 HG22 ' HB2' ' A' ' 92' ' ' GLU . 13.3 m -72.42 133.71 31.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 N-CA-C 109.274 -0.639 . . . . 0.71 109.274 -175.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.547 ' HB2' HD23 ' A' ' 82' ' ' LEU . 3.4 mmp_? -126.45 113.25 16.6 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 122.163 -0.336 . . . . 2.63 110.42 -174.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.9 t -89.25 120.7 30.85 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.392 -0.595 . . . . 0.64 109.392 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.404 ' O ' ' HG2' ' A' ' 84' ' ' GLU . 24.0 m -106.29 139.33 27.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.963 -0.562 . . . . 1.34 111.376 -174.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.0 p -110.34 -4.74 15.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.917 -0.583 . . . . 1.22 111.161 178.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.446 ' HB2' ' HG2' ' A' ' 113' ' ' GLU . 58.9 m -161.82 151.72 13.99 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.66 -0.496 . . . . 0.93 109.66 -178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.434 ' HA ' ' HG ' ' A' ' 34' ' ' LEU . 51.7 Cg_exo -54.79 -38.44 91.98 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.258 1.972 . . . . 0.6 112.229 178.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.56 -40.66 95.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.829 -0.623 . . . . 2.04 110.922 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.446 ' HG2' ' HB2' ' A' ' 110' ' ' SER . 42.2 mm-40 -58.33 -47.39 83.87 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 116.228 -0.442 . . . . 2.21 110.208 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -55.09 -44.05 74.51 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.722 -0.672 . . . . 0.48 110.885 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -63.76 -38.43 91.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.775 -0.648 . . . . 1.53 110.846 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.426 ' O ' ' HG3' ' A' ' 120' ' ' GLU . 1.2 mpt_? -65.11 -44.05 90.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.462 -0.335 . . . . 4.21 111.119 179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 35.3 m95 -61.45 -42.29 98.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.667 0.27 . . . . 0.99 110.753 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.405 ' HB ' ' SD ' ' A' ' 41' ' ' MET . 66.3 mt -70.62 -39.5 76.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.381 -0.372 . . . . 0.57 110.888 -178.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.96 -45.67 86.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.888 0.375 . . . . 2.66 110.397 178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 116' ' ' ARG . 45.4 mt-10 -69.65 -41.4 75.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.934 -0.575 . . . . 2.48 110.264 178.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 23' ' ' LEU . 64.5 t80 -63.84 -21.69 66.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.038 -0.528 . . . . 1.43 111.604 -178.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.7 m -64.23 -26.75 68.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.784 0.326 . . . . 1.31 110.387 178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 178.83 88.71 0.01 OUTLIER 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.868 -0.605 . . . . 2.53 109.781 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.418 ' HG2' ' OXT' ' A' ' 124' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.11 -0.948 . . . . 2.76 110.811 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.543 ' SD ' ' HE2' ' A' ' 78' ' ' LYS . 25.4 ptt? . . . . . 0 N--CA 1.483 1.184 0 CA-C-O 120.664 0.269 . . . . 2.17 110.52 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.606 ' OG1' ' HB2' ' A' ' 73' ' ' ASN . 3.3 m -85.01 127.67 34.3 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.561 -0.533 . . . . 0.82 109.561 175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -104.72 114.95 29.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.251 0.548 . . . . 0.39 110.809 -179.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.439 ' HB2' HG12 ' A' ' 79' ' ' ILE . 37.5 m-85 -105.98 157.87 17.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.54 -0.755 . . . . 1.3 109.325 177.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.51 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 2.6 p -143.43 130.86 18.13 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-O 121.805 0.812 . . . . 1.08 111.127 173.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.453 HD23 HD12 ' A' ' 58' ' ' LEU . 10.4 mp -115.98 162.96 16.6 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.644 -1.162 . . . . 1.18 109.135 176.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 82' ' ' LEU . 10.1 tt -148.37 128.76 4.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 116.386 -0.37 . . . . 0.55 110.448 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 58' ' ' LEU . 6.7 tp -124.57 77.9 1.62 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 119.625 -0.83 . . . . 1.24 109.235 170.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.405 ' HB3' HD21 ' A' ' 34' ' ' LEU . 5.8 t -149.26 88.94 1.61 Allowed 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 107.099 -1.445 . . . . 1.27 107.099 170.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -85.01 88.86 7.49 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 118.332 -1.347 . . . . 2.75 111.393 -170.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.552 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 8.9 t70 -119.27 140.12 50.78 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.346 -1.297 . . . . 1.57 108.08 162.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 36' ' ' GLU . 13.8 mptt -58.05 -61.47 2.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 118.672 0.669 . . . . 2.93 112.037 -175.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 ptmm? -68.92 -31.0 69.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.489 0.185 . . . . 3.44 111.253 -174.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.562 ' CD1' ' HA ' ' A' ' 111' ' ' PRO . 30.1 tp -57.45 -55.3 36.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.757 0.313 . . . . 1.46 110.349 174.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.5 mt -59.0 -43.24 88.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.69 111.071 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 45.2 mt-10 -62.7 -51.97 65.11 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.407 -0.36 . . . . 2.15 111.382 -178.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -67.39 -35.68 79.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.641 0.258 . . . . 2.05 111.376 -177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.37 -42.11 79.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.51 110.606 178.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 -63.96 -44.97 91.2 Favored 'General case' 0 C--O 1.216 -0.703 0 CA-C-N 116.19 -0.459 . . . . 2.96 110.895 178.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 65.9 mttm -52.75 -34.62 53.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.909 0.385 . . . . 1.88 110.945 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.9 tpt -72.61 -55.03 7.51 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 115.885 -0.598 . . . . 1.68 111.328 178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.26 -32.38 61.04 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.325 0.491 . . . . 0.49 112.325 -174.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -61.28 -45.15 95.68 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.344 -0.614 . . . . 2.41 109.344 -178.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -79.51 -20.41 47.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.779 -0.646 . . . . 3.63 111.309 178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.2 1.65 17.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.01 0.433 . . . . 0.66 111.04 179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 63.37 32.97 14.25 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.327 -0.852 . . . . 2.18 110.688 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.6 mt -96.61 140.56 31.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.627 -0.715 . . . . 0.59 109.225 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 58.5 mt -78.94 91.73 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.374 0.607 . . . . 0.53 109.799 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.51 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 62.2 tp -89.94 133.43 34.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.215 -0.902 . . . . 1.14 111.037 -176.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.0 mt -122.92 99.78 7.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.872 -0.604 . . . . 0.94 109.663 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.2 p -81.35 114.38 20.08 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.806 -0.634 . . . . 1.17 110.961 -179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 58' ' ' LEU . 6.1 m -123.84 164.58 21.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.282 -0.417 . . . . 1.38 110.97 -177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.533 ' O ' ' HB2' ' A' ' 54' ' ' ASP . . . -140.98 97.38 0.21 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.585 -0.817 . . . . 1.24 112.305 176.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.533 ' HB2' ' O ' ' A' ' 53' ' ' GLY . 19.0 t70 135.42 149.99 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.956 1.703 . . . . 1.98 108.925 179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -62.05 -43.12 99.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.928 0.394 . . . . 2.21 110.67 -176.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -70.42 -30.38 67.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 2.04 110.91 -179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -62.51 -41.87 99.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 2.16 110.173 175.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.54 ' HB2' HD13 ' A' ' 28' ' ' LEU . 24.3 tp -62.08 -41.52 98.27 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.825 -0.625 . . . . 0.83 109.998 175.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -60.25 -25.51 65.73 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.085 -0.961 . . . . 2.26 110.936 -174.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 49.8 mttm -90.57 -35.82 14.8 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 115.248 -0.887 . . . . 2.35 111.096 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.3 95.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.156 0.503 . . . . 0.47 109.751 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 98.0 mt -58.64 -46.19 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.311 -0.858 . . . . 0.83 110.795 176.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -66.21 -43.25 87.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.04 -0.527 . . . . 2.76 111.305 -176.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 7.1 mtpm? -69.15 -27.35 65.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.368 -0.378 . . . . 2.11 111.112 -177.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.39 -33.35 75.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.38 110.538 177.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -61.47 -43.44 98.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.987 -0.551 . . . . 1.36 110.193 177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.9 -36.99 75.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.994 -0.548 . . . . 1.68 111.303 178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.5 mt -74.66 -39.16 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.003 0.43 . . . . 0.51 110.139 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.14 -53.85 47.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.754 -0.657 . . . . 0.53 110.94 179.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.706 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 29.3 mmtp -59.18 -31.12 68.71 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 115.946 -0.57 . . . . 1.5 111.417 -178.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -55.48 -41.57 73.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.551 -0.749 . . . . 2.71 110.476 -179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 73' ' ' ASN . 6.8 pt20 -125.23 -54.79 1.58 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 114.556 1.317 . . . . 2.22 114.556 -176.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.606 ' HB2' ' OG1' ' A' ' 22' ' ' THR . 0.8 OUTLIER -117.95 14.62 14.19 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.115 1.895 . . . . 2.41 116.115 -162.738 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.706 ' OG ' ' HA ' ' A' ' 70' ' ' LYS . 5.2 p -60.22 -1.73 0.36 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.361 1.245 . . . . 3.38 114.361 -172.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.7 m -58.91 -32.89 69.94 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.21 -0.663 . . . . 2.75 109.21 169.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -165.08 103.6 0.77 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.079 -0.964 . . . . 2.76 109.312 171.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.31 150.89 39.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.935 -0.575 . . . . 0.71 109.685 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.543 ' HE2' ' SD ' ' A' ' 21' ' ' MET . 47.5 mtmt -136.17 139.47 42.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.081 0.467 . . . . 1.67 110.56 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.58 ' HB ' HG23 ' A' ' 103' ' ' VAL . 53.9 mt -124.0 142.16 41.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.663 -0.698 . . . . 0.49 109.632 -177.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.04 126.49 52.4 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.483 -0.932 . . . . 1.4 108.483 174.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.6 mt -116.18 107.86 23.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 C-N-CA 120.58 -0.448 . . . . 0.38 110.474 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.513 HD23 ' HB2' ' A' ' 106' ' ' ARG . 96.8 mt -95.26 99.04 11.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.499 . . . . 1.61 110.04 176.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.433 ' O ' ' HA ' ' A' ' 107' ' ' THR . 0.8 OUTLIER -123.05 159.5 28.29 Favored 'General case' 0 C--N 1.314 -0.942 0 C-N-CA 121.161 -0.215 . . . . 1.17 110.603 -178.767 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -102.49 101.55 11.76 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 119.527 -0.869 . . . . 2.04 108.998 170.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -174.38 144.22 0.92 Allowed Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 114.933 -1.031 . . . . 2.02 108.452 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -65.17 119.97 7.1 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 121.917 1.744 . . . . 0.85 110.635 170.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.4 m -124.6 130.86 73.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.337 0.589 . . . . 1.17 111.677 -176.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.421 ' HB2' ' HD2' ' A' ' 89' ' ' PRO . 60.0 p -100.12 172.82 4.22 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.417 -0.81 . . . . 1.44 109.855 175.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.421 ' HD2' ' HB2' ' A' ' 88' ' ' SER . 59.4 Cg_exo -54.27 -29.64 58.28 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 121.815 1.677 . . . . 1.14 111.542 171.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 94' ' ' LYS . 42.3 mt-10 -70.84 -45.07 65.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.483 -0.78 . . . . 2.43 110.434 179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -57.12 -45.64 83.31 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.917 0.389 . . . . 3.78 110.525 174.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -57.73 -44.56 86.07 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.662 -0.699 . . . . 1.46 110.784 177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -61.55 -37.22 82.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.665 -0.698 . . . . 3.25 110.9 -176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 34.8 mmtp -59.78 -46.3 89.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.06 0.457 . . . . 2.44 110.701 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 66.7 mt -80.18 -35.33 36.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.988 -0.551 . . . . 1.14 110.867 -177.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -70.94 -29.32 65.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.986 -0.552 . . . . 2.2 110.818 -178.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -81.56 -29.19 33.53 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.349 -0.387 . . . . 2.87 111.506 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -65.58 -50.39 65.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.783 0.325 . . . . 3.64 111.0 -176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -101.24 148.57 24.96 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.652 -0.87 . . . . 0.6 108.652 174.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -88.9 99.25 12.25 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 118.652 -1.219 . . . . 1.77 108.754 177.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -176.0 160.38 2.28 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.06 -1.427 . . . . 0.5 108.528 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -91.58 89.16 7.05 Favored 'General case' 0 C--N 1.309 -1.184 0 N-CA-C 108.727 -0.842 . . . . 1.77 108.727 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.58 HG23 ' HB ' ' A' ' 79' ' ' ILE . 8.8 p -84.22 131.56 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.602 0.715 . . . . 1.05 110.714 -176.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -99.77 98.92 9.68 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.107 -0.951 . . . . 2.71 108.58 177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.65 116.45 28.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.182 0.515 . . . . 0.71 109.824 -178.193 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.513 ' HB2' HD23 ' A' ' 82' ' ' LEU . 5.4 mmp_? -119.53 137.36 53.87 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 122.156 -0.34 . . . . 2.63 110.42 -177.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 83' ' ' LEU . 12.4 t -90.6 132.87 35.49 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.537 -0.542 . . . . 0.64 109.537 178.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.469 HG21 ' HB2' ' A' ' 114' ' ' ALA . 10.4 p -126.33 146.52 32.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.406 -0.361 . . . . 1.34 111.125 -175.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.3 p -131.5 -17.52 2.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 1.22 111.331 175.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.401 ' HA ' ' HD3' ' A' ' 111' ' ' PRO . 4.2 p -138.4 140.59 28.67 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-O 121.367 0.603 . . . . 0.93 111.375 -178.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.562 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 88.7 Cg_exo -50.18 -36.81 47.32 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 124.459 3.439 . . . . 0.6 114.032 -177.718 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.15 -38.2 78.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.468 -0.333 . . . . 2.04 111.199 -177.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.58 -36.63 81.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.782 0.325 . . . . 2.21 110.127 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.469 ' HB2' HG21 ' A' ' 108' ' ' VAL . . . -56.95 -50.02 73.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.12 -0.491 . . . . 0.48 110.114 175.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -61.32 -31.69 71.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.725 -0.67 . . . . 1.53 111.172 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -65.31 -51.52 60.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.275 -0.421 . . . . 4.21 110.798 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -64.18 -39.14 93.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.403 -0.362 . . . . 0.99 110.82 -178.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.12 -46.51 91.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.57 110.505 176.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -60.42 -46.8 88.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 2.66 110.92 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -65.52 -35.68 81.59 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.779 -0.646 . . . . 2.48 111.351 -177.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -77.97 -32.84 51.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.947 0.403 . . . . 1.43 110.552 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.2 t -64.31 -46.85 81.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.964 -0.562 . . . . 1.31 110.755 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -90.71 73.54 6.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.04 -0.527 . . . . 2.53 111.748 -173.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 . . . . . 0 C--O 1.25 1.119 0 CA-C-N 115.72 -0.673 . . . . 2.76 109.534 174.06 . . . . . . . . 0 0 . 1 stop_ save_